SMIRKS
[C:1]([C:2]([S:3][C:4]([C:5]([C@:6]([N:7]([H:43])[H:44])([C:8](=[O:9])[O:10][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[H]OP(=O)(O[H])OP(=O)(O[H])O[P:26]([O:25][C:24]([C@@:23]1([H:65])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:56]):[N:13]:[C:12]([N:11]([H:70])[H:71]):[C:17]:3:[N:18]:[C:19]:2[H:57])([H:58])[C@@:40]([O:41][H:68])([H:69])[C@@:38]1([O:39][H:66])[H:67])([H:63])[H:64])(=[O:27])[O:28][H:59]>>[C:1]([C:2]([S+:3]([C:4]([C:5]([C@:6]([N:7]([H:43])[H:44])([C:8](=[O:9])[O:10][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[C:24]([C@@:23]1([H:65])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:56]):[N:13]:[C:12]([N:11]([H:70])[H:71]):[C:17]:3:[N:18]:[C:19]:2[H:57])([H:58])[C@@:40]([O:41][H:68])([H:69])[C@@:38]1([O:39][H:66])[H:67])([H:63])[H:64])([H:51])[H:52])([H:53])([H:54])[H:55].[H]O[P:26]([O:25][H])(=[O:27])[O:28][H:59]
Derived Operators
EVODEX.1-F425 - Elemental Balance
| P | -2 |
| O | -6 |
| H | -1 |
EVODEX.1-M413 - Mass Difference
-158.92483
EVODEX.1-E1234 - 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])(-[#8:26]-[#15:27]-[#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].[#8:26](-[#15:27]-[#8]-[H])-[H]
EVODEX.1-C421 - Reaction Operator C
[#16:5].([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8].[#8:27]-[#6:26])>>[#16:5]-[#6:26].([H]-[#8].[#8:27]-[H])
EVODEX.1-N502 - Reaction Operator N
[#6:4]-[#16:5]-[#6:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:28]-[#8:27]-[#6:26](-[#6@@:25])(-[H:67])-[H:68]>>[#6:4]-[#16:5](-[#6:6])-[#6:26](-[#6@@:25])(-[H:67])-[H:68].[H]-[#8]-[#15:28]-[#8:27]-[H]
EVODEX.1-Em534 - Reaction Operator Em
[#6:4]-[#16:5]-[#6:6].[#15:28]-[#8:27]-[#6:26]-[#6:25]>>[#6:4]-[#16:5](-[#6:6])-[#6:26]-[#6:25].[#15:28]-[#8:27]-[H]
EVODEX.1-Nm485 - Reaction Operator Nm
[#6:4]-[#16:5]-[#6:6].[#15:28]-[#8:27]-[#6:26]-[#6:25]>>[#6:4]-[#16:5](-[#6:6])-[#6:26]-[#6:25].[#15:28]-[#8:27]-[H]
Source Full Reactions
EVODEX.1-R3485
[C:1]([C:2]([S:3][C:4]([C:5]([C@:6]([N:7]([H:43])[H:44])([C:8](=[O:9])[O:10][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[HH].[N:11]([C:12]1:[N:13]:[C:14]([H:56]):[N:15]:[C:16]2:[C:17]:1:[N:18]:[C:19]([H:57]):[N:20]:2[C@:21]1([H:58])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:59])[O:29][P:30](=[O:31])([O:32][H:60])[O:33][P:34](=[O:35])([O:36][H:61])[O:37][H:62])([H:63])[H:64])([H:65])[C@:38]([O:39][H:66])([H:67])[C@:40]1([O:41][H:68])[H:69])([H:70])[H:71].[H][O:42][H:72]>>[C:1]([C:2]([S+:3]([C:4]([C:5]([C@:6]([N:7]([H:43])[H:44])([C:8](=[O:9])[O:10][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[C:24]([C@@:23]1([H:65])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:56]):[N:13]:[C:12]([N:11]([H:70])[H:71]):[C:17]:3:[N:18]:[C:19]:2[H:57])([H:58])[C@@:40]([O:41][H:68])([H:69])[C@@:38]1([O:39][H:66])[H:67])([H:63])[H:64])([H:51])[H:52])([H:53])([H:54])[H:55].[H][O:25][P:26](=[O:27])([O:28][H:59])[O:42][H:72].[H][O:29][P:30](=[O:31])([O:32][H:60])[O:33][P:34](=[O:35])([O:36][H:61])[O:37][H:62]