SMIRKS
[C:1](#[C:2][C:3]([C:4]([S:5][C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57].[H]OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])O[C:26]([C@@:25]1([H:67])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:58]):[N:15]:[C:14]([N:13]([H:72])[H:73]):[C:19]:3:[N:20]:[C:21]:2[H:59])([H:60])[C@@:42]([O:43][H:70])([H:71])[C@@:40]1([O:41][H:68])[H:69])([H:65])[H:66]>>[C:1](#[C:2][C:3]([C:4]([S+:5]([C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[C:26]([C@@:25]1([H:67])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:58]):[N:15]:[C:14]([N:13]([H:72])[H:73]):[C:19]:3:[N:20]:[C:21]:2[H:59])([H:60])[C@@:42]([O:43][H:70])([H:71])[C@@:40]1([O:41][H:68])[H:69])([H:65])[H:66])([H:53])[H:54])([H:55])[H:56])[H:57]
Derived Operators
EVODEX.1-F426 - Elemental Balance
| P | -3 |
| O | -10 |
| H | -4 |
EVODEX.1-M414 - Mass Difference
-256.90172
EVODEX.1-E1235 - Reaction Operator E
[#6:3]-[#16:4]-[#6:5].[#6:25](-[#6@@:24]-[#6@:39](-[#8:40])(-[H:65])-[#6@:41](-[#6@:22])(-[#8:42])-[H:67])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:61])-[H:62]>>[#6:3]-[#16:4](-[#6:5])-[#6:25](-[#6@@:24]-[#6@:39](-[#6@:41](-[#6@:22])(-[#8:42])-[H:67])(-[#8:40])-[H:65])(-[H:61])-[H:62]
EVODEX.1-C418 - Reaction Operator C
[#16:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:27]>>[#16:6]-[#6:27]
EVODEX.1-N499 - Reaction Operator N
[#6:5]-[#16:6]-[#6:7].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:27](-[#6@@:26])(-[H:72])-[H:73]>>[#6:5]-[#16:6](-[#6:7])-[#6:27](-[#6@@:26])(-[H:72])-[H:73]
EVODEX.1-Em531 - Reaction Operator Em
[#6:5]-[#16:6]-[#6:7].[#15]-[#8]-[#6:27]-[#6:26]>>[#6:5]-[#16:6](-[#6:7])-[#6:27]-[#6:26]
EVODEX.1-Nm482 - Reaction Operator Nm
[#6:5]-[#16:6]-[#6:7].[#15]-[#8]-[#6:27]-[#6:26]>>[#6:5]-[#16:6](-[#6:7])-[#6:27]-[#6:26]
Source Full Reactions
EVODEX.1-R3483
[C:1](#[C:2][C:3]([C:4]([S:5][C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[H:57].[HH].[N:13]([C:14]1:[N:15]:[C:16]([H:58]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:59]):[N:22]:2[C@:23]1([H:60])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:61])[O:31][P:32](=[O:33])([O:34][H:62])[O:35][P:36](=[O:37])([O:38][H:63])[O:39][H:64])([H:65])[H:66])([H:67])[C@:40]([O:41][H:68])([H:69])[C@:42]1([O:43][H:70])[H:71])([H:72])[H:73].[H][O:44][H:74]>>[C:1](#[C:2][C:3]([C:4]([S+:5]([C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[C:26]([C@@:25]1([H:67])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:58]):[N:15]:[C:14]([N:13]([H:72])[H:73]):[C:19]:3:[N:20]:[C:21]:2[H:59])([H:60])[C@@:42]([O:43][H:70])([H:71])[C@@:40]1([O:41][H:68])[H:69])([H:65])[H:66])([H:53])[H:54])([H:55])[H:56])[H:57].[H][O:27][P:28](=[O:29])([O:30][H:61])[O:44][H:74].[H][O:31][P:32](=[O:33])([O:34][H:62])[O:35][P:36](=[O:37])([O:38][H:63])[O:39][H:64]