SMIRKS
[C:1]([C:2]([C:3]([H:85])([H:86])[H:87])([C:4]([O:5][P:6](=[O:7])([O:8][H:88])[O:9][P:10](=[O:11])([O:12][H:89])[O:13][C:14]([C@@:15]1([H:90])[O:16][C@:17]([N:18]2:[C:19]([H:91]):[N:20]:[C:21]3:[C:22]([N:23]([H:92])[H:93]):[N:24]:[C:25]([H:94]):[N:26]:[C:27]:2:3)([H:95])[C@@:28]([O:29][H:96])([H:97])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:98])[O:35][H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[C@@:36]([O:37][H:105])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51]([F:52])([H:106])[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][O:78][P:77](=[O:76])([O:79][H:137])[O:80][P:81](=[O:82])([O:83][H:138])[O:84][H:139]>>[H]O[C:49](=[O:50])[C:51]([F:52])([H:106])[H:107].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:119])([H:120])[H:121])([C:3]([H:85])([H:86])[H:87])[C:4]([O:5][P:6](=[O:7])([O:8][H:88])[O:9][P:10](=[O:11])([O:12][H:89])[O:13][C:14]([C@@:15]1([H:90])[O:16][C@:17]([N:18]2:[C:19]([H:91]):[N:20]:[C:21]3:[C:22]([N:23]([H:92])[H:93]):[N:24]:[C:25]([H:94]):[N:26]:[C:27]:2:3)([H:95])[C@@:28]([O:29][H:96])([H:97])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:98])[O:35][H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([O:37][H:105])[H:118])=[O:39])[H:117])([H:115])[H:116])([H:113])[H:114])=[O:44])[H:112])([H:110])[H:111])([H:108])[H:109].[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])[O:78][P:77](=[O:76])([O:79][H:137])[O:80][P:81](=[O:82])([O:83][H:138])[O:84][H:139]
Derived Operators
EVODEX.1-F283 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 10 |
| N | 5 |
| H | 14 |
EVODEX.1-M78 - Mass Difference
347.06321999999994
EVODEX.1-E1040 - Reaction Operator E
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6@:51].[#15:90]-[#8:91]-[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])-[#8:91]-[#15:90])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C770 - Reaction Operator C
[#16:48]-[#6:49].[H]-[#8:78]>>[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])-[#8:78]
EVODEX.1-N981 - Reaction Operator N
[#6:47]-[#16:48]-[#6:49](=[#8:50])-[#6:51].[H]-[#8:78]-[#15:77]>>[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])-[#8:78]-[#15:77]
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-R7234
[C:1]([C:2]([C:3]([H:85])([H:86])[H:87])([C:4]([O:5][P:6](=[O:7])([O:8][H:88])[O:9][P:10](=[O:11])([O:12][H:89])[O:13][C:14]([C@@:15]1([H:90])[O:16][C@:17]([N:18]2:[C:19]([H:91]):[N:20]:[C:21]3:[C:22]([N:23]([H:92])[H:93]):[N:24]:[C:25]([H:94]):[N:26]:[C:27]:2:3)([H:95])[C@@:28]([O:29][H:96])([H:97])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:98])[O:35][H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[C@@:36]([O:37][H:105])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:49](=[O:50])[C:51]([F:52])([H:106])[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].[N:53]([C:54]1:[N:55]:[C:56]([H:122]):[N:57]:[C:58]2:[C:59]:1:[N:60]:[C:61]([H:123]):[N:62]:2[C@:63]1([H:124])[O:64][C@@:65]([C:66]([O:67][P:68](=[O:69])([O:70][H:125])[O:71][H:126])([H:127])[H:128])([H:129])[C@:72]([O:73][H:130])([H:131])[C@:74]1([O:75][H:132])[H:133])([H:134])[H:135].[H][O:78][P:77](=[O:76])([O:79][H:137])[O:80][P:81](=[O:82])([O:83][H:138])[O:84][H:139]>>[C:49](=[O:50])([C:51]([F:52])([H:106])[H:107])[O:70][H:125].[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:119])([H:120])[H:121])([C:3]([H:85])([H:86])[H:87])[C:4]([O:5][P:6](=[O:7])([O:8][H:88])[O:9][P:10](=[O:11])([O:12][H:89])[O:13][C:14]([C@@:15]1([H:90])[O:16][C@:17]([N:18]2:[C:19]([H:91]):[N:20]:[C:21]3:[C:22]([N:23]([H:92])[H:93]):[N:24]:[C:25]([H:94]):[N:26]:[C:27]:2:3)([H:95])[C@@:28]([O:29][H:96])([H:97])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:98])[O:35][H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([O:37][H:105])[H:118])=[O:39])[H:117])([H:115])[H:116])([H:113])[H:114])=[O:44])[H:112])([H:110])[H:111])([H:108])[H:109].[N:53]([C:54]1:[N:55]:[C:56]([H:122]):[N:57]:[C:58]2:[C:59]:1:[N:60]:[C:61]([H:123]):[N:62]:2[C@:63]1([H:124])[O:64][C@@:65]([C:66]([O:67][P:68](=[O:69])([O:71][H:126])[O:78][P:77](=[O:76])([O:79][H:137])[O:80][P:81](=[O:82])([O:83][H:138])[O:84][H:139])([H:127])[H:128])([H:129])[C@:72]([O:73][H:130])([H:131])[C@:74]1([O:75][H:132])[H:133])([H:134])[H:135]