SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:64]([O:63][C:62]([C@@:61]1([H:138])[O:60][C@:59]([N:58]2:[C:54]3:[N:53]:[C:52]([H:129]):[N:51]:[C:50]([N:49]([H:143])[H:144]):[C:55]:3:[N:56]:[C:57]:2[H:130])([H:131])[C@@:78]([O:79][H:141])([H:142])[C@@:76]1([O:77][H:139])[H:140])([H:136])[H:137])(=[O:65])[O:66][H:132].[O:80]=[C:81]([O:82][H:145])[C:83](=[C:84]([C:85]1:[C:86]([H:146]):[C:87]([H:147]):[C:88]([O:89][H:148]):[C:90]([O:91][H:149]):[C:92]:1[H:150])[H:151])[H:152]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:81](=[O:80])[C:83](=[C:84]([C:85]2:[C:86]([H:146]):[C:87]([H:147]):[C:88]([O:89][H:148]):[C:90]([O:91][H:149]):[C:92]:2[H:150])[H:151])[H:152])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[N:49]([C:50]1:[N:51]:[C:52]([H:129]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:130]):[N:58]:2[C@:59]1([H:131])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:132])[O:82][H:145])([H:136])[H:137])([H:138])[C@:76]([O:77][H:139])([H:140])[C@:78]1([O:79][H:141])[H:142])([H:143])[H:144]
Derived Operators
EVODEX.1-F118 - Elemental Balance
| P | 1 |
| O | 9 |
| C | 21 |
| S | 1 |
| N | 7 |
| H | 32 |
EVODEX.1-M43 - Mass Difference
589.1722599999999
EVODEX.1-C153 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:64].[#6@@:78]-[#6@@:76]).[#6:81]-[#8:82]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:81])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.([#15:64]-[#8:82].[#6@:76]-[#6@:78])
EVODEX.1-N69 - Reaction Operator N
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:64](-[#8:63])(=[#8:65])-[#8:66].[#8:79]-[#6@:78](-[#6@:59])(-[H:141])-[#6@@:76](-[#6@@:61])(-[#8:77])-[H:139]).[#8:80]=[#6:81](-[#8:82]-[H:144])-[#6:83]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:81](=[#8:80])-[#6:83])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.([#8:63]-[#15:64](=[#8:65])(-[#8:66])-[#8:82]-[H:144].[#8:77]-[#6@@:76](-[#6@@:61])(-[H:139])-[#6@:78](-[#6@:59])(-[#8:79])-[H:141])
EVODEX.1-Em147 - Reaction Operator Em
[#6:54]=[#6:55]-[#6:56](=[#8:57])-[#8:58].[#15]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76]>>[#6]-[#16]-[#6:56](-[#6:55]=[#6:54])=[#8:57].[#8:58]-[#15:74](-[#8:73])(=[#8:75])-[#8:76]
EVODEX.1-Nm38 - Reaction Operator Nm
[#15]-[#8]-[#15:68](-[#8:67])(=[#8:69])-[#8:70].[#6:84]-[#6:86](=[#8:87])-[#8:88]>>[#6]-[#16]-[#6:86](-[#6:84])=[#8:87].[#8:67]-[#15:68](=[#8:69])(-[#8:70])-[#8:88]
Source Full Reactions
EVODEX.1-R7251
[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:126])([H:127])[H:128])([C:3]([H:93])([H:94])[H:95])[C:4]([O:5][P:6](=[O:7])([O:8][H:96])[O:9][P:10](=[O:11])([O:12][H:97])[O:13][C:14]([C@@:15]1([H:98])[O:16][C@:17]([N:18]2:[C:19]([H:99]):[N:20]:[C:21]3:[C:22]([N:23]([H:100])[H:101]):[N:24]:[C:25]([H:102]):[N:26]:[C:27]:2:3)([H:103])[C@@:28]([O:29][H:104])([H:105])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:106])[O:35][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([O:37][H:113])[H:125])=[O:39])[H:124])([H:122])[H:123])([H:120])[H:121])=[O:44])[H:119])([H:117])[H:118])([H:115])[H:116].[N:49]([C:50]1:[N:51]:[C:52]([H:129]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:130]):[N:58]:2[C@:59]1([H:131])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:132])[O:67][P:68](=[O:69])([O:70][H:133])[O:71][P:72](=[O:73])([O:74][H:134])[O:75][H:135])([H:136])[H:137])([H:138])[C@:76]([O:77][H:139])([H:140])[C@:78]1([O:79][H:141])[H:142])([H:143])[H:144].[O:80]=[C:81]([O:82][H:145])[C:83](=[C:84]([C:85]1:[C:86]([H:146]):[C:87]([H:147]):[C:88]([O:89][H:148]):[C:90]([O:91][H:149]):[C:92]:1[H:150])[H:151])[H:152]>>[C:1]([C:2]([C:3]([H:93])([H:94])[H:95])([C:4]([O:5][P:6](=[O:7])([O:8][H:96])[O:9][P:10](=[O:11])([O:12][H:97])[O:13][C:14]([C@@:15]1([H:98])[O:16][C@:17]([N:18]2:[C:19]([H:99]):[N:20]:[C:21]3:[C:22]([N:23]([H:100])[H:101]):[N:24]:[C:25]([H:102]):[N:26]:[C:27]:2:3)([H:103])[C@@:28]([O:29][H:104])([H:105])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:106])[O:35][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[C@@:36]([O:37][H:113])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:81](=[O:80])[C:83](=[C:84]([C:85]1:[C:86]([H:146]):[C:87]([H:147]):[C:88]([O:89][H:148]):[C:90]([O:91][H:149]):[C:92]:1[H:150])[H:151])[H:152])([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].[N:49]([C:50]1:[N:51]:[C:52]([H:129]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:130]):[N:58]:2[C@:59]1([H:131])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:132])[O:82][H:145])([H:136])[H:137])([H:138])[C@:76]([O:77][H:139])([H:140])[C@:78]1([O:79][H:141])[H:142])([H:143])[H:144].[H][O:67][P:68](=[O:69])([O:70][H:133])[O:71][P:72](=[O:73])([O:74][H:134])[O:75][H:135]