SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:89])([C:22]([C:23]([H:90])([H:91])[H:92])([C:24]([H:93])([H:94])[H:95])[C:25]([O:26][P:27](=[O:28])([O:29][H:96])[O:30][P:31](=[O:32])([O:33][H:97])[O:34][C:35]([C@@:36]1([H:98])[O:37][C@:38]([N:39]2:[C:40]([H:99]):[N:41]:[C:42]3:[C:43]([N:44]([H:100])[H:101]):[N:45]:[C:46]([H:102]):[N:47]:[C:48]:2:3)([H:103])[C@@:49]([O:50][H:104])([H:105])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:106])[O:56][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])([H:135])[H:136].[H][O:86][P:85](=[O:84])([O:87][H:153])[O:88][H:154]>>[H]O[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:134])([H:135])[H:136])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])=[O:8].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:86][P:85](=[O:84])([O:87][H:153])[O:88][H:154].[H][S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:89])([C:22]([C:23]([H:90])([H:91])[H:92])([C:24]([H:93])([H:94])[H:95])[C:25]([O:26][P:27](=[O:28])([O:29][H:96])[O:30][P:31](=[O:32])([O:33][H:97])[O:34][C:35]([C@@:36]1([H:98])[O:37][C@:38]([N:39]2:[C:40]([H:99]):[N:41]:[C:42]3:[C:43]([N:44]([H:100])[H:101]):[N:45]:[C:46]([H:102]):[N:47]:[C:48]:2:3)([H:103])[C@@:49]([O:50][H:104])([H:105])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:106])[O:56][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123]
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1185 - Reaction Operator E
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6@:51].[#15:85]-[#8:86]-[H]>>[#6:49](=[#8:50])(-[#6@:51])-[#8]-[H].[#6:47]-[#16:48]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:86]-[#15:85])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C778 - Reaction Operator C
[#16:48]-[#6:49].[H]-[#8:86]>>[H]-[#8]-[#6:49].[H]-[#16:48].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:86]
EVODEX.1-N989 - Reaction Operator N
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6@:51].[H]-[#8:86]-[#15:85]>>[H]-[#8]-[#6:49](=[#8:50])-[#6@:51].[H]-[#16:48]-[#6:47].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:86]-[#15:85]
EVODEX.1-Em143 - Reaction Operator Em
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[H]-[#8:86]-[#15:85]>>[H]-[#8]-[#6:49](=[#8:50])-[#6:51].[H]-[#16:48]-[#6:47].[#8]-[#15](=[#8])(-[#8])-[#8:86]-[#15:85]
EVODEX.1-Cm169 - Reaction Operator Cm
[#16:48]-[#6:49].[H]-[#8:86]>>[#8]-[#6:49].[H]-[#16:48].[#15]-[#8:86]
EVODEX.1-Nm175 - Reaction Operator Nm
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[H]-[#8:86]-[#15:85]>>[H]-[#8]-[#6:49](=[#8:50])-[#6:51].[H]-[#16:48]-[#6:47].[#8]-[#15](=[#8])(-[#8])-[#8:86]-[#15:85]
Source Full Reactions
EVODEX.1-R7288
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:89])([C:22]([C:23]([H:90])([H:91])[H:92])([C:24]([H:93])([H:94])[H:95])[C:25]([O:26][P:27](=[O:28])([O:29][H:96])[O:30][P:31](=[O:32])([O:33][H:97])[O:34][C:35]([C@@:36]1([H:98])[O:37][C@:38]([N:39]2:[C:40]([H:99]):[N:41]:[C:42]3:[C:43]([N:44]([H:100])[H:101]):[N:45]:[C:46]([H:102]):[N:47]:[C:48]:2:3)([H:103])[C@@:49]([O:50][H:104])([H:105])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:106])[O:56][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])([H:135])[H:136].[N:57]([C:58]1:[N:59]:[C:60]([H:137]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:138]):[N:66]:2[C@:67]1([H:139])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:74][H:140])[O:75][P:76](=[O:77])([O:78][H:141])[O:79][H:142])([H:143])[H:144])([H:145])[C@:80]([O:81][H:146])([H:147])[C@:82]1([O:83][H:148])[H:149])([H:150])[H:151].[H][O:86][P:85](=[O:84])([O:87][H:153])[O:88][H:154]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[O:78][H:141])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])([H:135])[H:136].[N:57]([C:58]1:[N:59]:[C:60]([H:137]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:138]):[N:66]:2[C@:67]1([H:139])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:74][H:140])[O:75][P:76](=[O:77])([O:79][H:142])[O:86][P:85](=[O:84])([O:87][H:153])[O:88][H:154])([H:143])[H:144])([H:145])[C@:80]([O:81][H:146])([H:147])[C@:82]1([O:83][H:148])[H:149])([H:150])[H:151].[H][S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:89])([C:22]([C:23]([H:90])([H:91])[H:92])([C:24]([H:93])([H:94])[H:95])[C:25]([O:26][P:27](=[O:28])([O:29][H:96])[O:30][P:31](=[O:32])([O:33][H:97])[O:34][C:35]([C@@:36]1([H:98])[O:37][C@:38]([N:39]2:[C:40]([H:99]):[N:41]:[C:42]3:[C:43]([N:44]([H:100])[H:101]):[N:45]:[C:46]([H:102]):[N:47]:[C:48]:2:3)([H:103])[C@@:49]([O:50][H:104])([H:105])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:106])[O:56][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123]