SMIRKS
[C:1](=[C:2]([C:3](=[C:4]([C:5]([S:6][C:7]([C:8]([C@:9]([N:10]([H:46])[H:47])([C:11](=[O:12])[O:13][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])[H:56])[H:57])[H:58])([H:59])[H:60].[H]OP(=O)(O[C:27]([C@@:26]1([H:70])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:61]):[N:16]:[C:15]([N:14]([H:75])[H:76]):[C:20]:3:[N:21]:[C:22]:2[H:62])([H:63])[C@@:43]([O:44][H:73])([H:74])[C@@:41]1([O:42][H:71])[H:72])([H:68])[H:69])[O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67]>>[C:1](=[C:2]([C:3](=[C:4]([C:5]([S+:6]([C:7]([C:8]([C@:9]([N:10]([H:46])[H:47])([C:11](=[O:12])[O:13][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[C:27]([C@@:26]1([H:70])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:61]):[N:16]:[C:15]([N:14]([H:75])[H:76]):[C:20]:3:[N:21]:[C:22]:2[H:62])([H:63])[C@@:43]([O:44][H:73])([H:74])[C@@:41]1([O:42][H:71])[H:72])([H:68])[H:69])([H:54])[H:55])[H:56])[H:57])[H:58])([H:59])[H:60].[H][O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67]
Derived Operators
EVODEX.1-M416 - Mass Difference
-78.9585
EVODEX.1-E1237 - 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])-[#8:30]-[#15:31])(-[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].[#8:30](-[#15:31])-[H]
EVODEX.1-C415 - Reaction Operator C
[#16:6].[H]-[#8]-[#15](=[#8])(-[#8]-[#6:27])-[#8:32]>>[#16:6]-[#6:27].[H]-[#8:32]
EVODEX.1-N496 - Reaction Operator N
[#6:5]-[#16:6]-[#6:7].[H]-[#8]-[#15](=[#8])(-[#8]-[#6:27](-[#6@@:26])(-[H:72])-[H:73])-[#8:32]-[#15:33]>>[#6:5]-[#16:6](-[#6:7])-[#6:27](-[#6@@:26])(-[H:72])-[H:73].[H]-[#8:32]-[#15:33]
EVODEX.1-Em529 - Reaction Operator Em
[#6:5]-[#16:6]-[#6:7].[#8]-[#15](=[#8])(-[#8]-[#6:27]-[#6:26])-[#8:32]-[#15:33]>>[#6:5]-[#16:6](-[#6:7])-[#6:27]-[#6:26].[H]-[#8:32]-[#15:33]
EVODEX.1-Cm247 - Reaction Operator Cm
[#16:6].[#15](-[#8]-[#6:27])-[#8:32]>>[#16:6]-[#6:27].[H]-[#8:32]
EVODEX.1-Nm480 - Reaction Operator Nm
[#6:5]-[#16:6]-[#6:7].[#8]-[#15](=[#8])(-[#8]-[#6:27]-[#6:26])-[#8:32]-[#15:33]>>[#6:5]-[#16:6](-[#6:7])-[#6:27]-[#6:26].[H]-[#8:32]-[#15:33]
Source Full Reactions
EVODEX.1-R3493
[C:1](=[C:2]([C:3](=[C:4]([C:5]([S:6][C:7]([C:8]([C@:9]([N:10]([H:46])[H:47])([C:11](=[O:12])[O:13][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])[H:56])[H:57])[H:58])([H:59])[H:60].[HH].[N:14]([C:15]1:[N:16]:[C:17]([H:61]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:62]):[N:23]:2[C@:24]1([H:63])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:64])[O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:68])[H:69])([H:70])[C@:41]([O:42][H:71])([H:72])[C@:43]1([O:44][H:73])[H:74])([H:75])[H:76].[H][O:45][H:77]>>[C:1](=[C:2]([C:3](=[C:4]([C:5]([S+:6]([C:7]([C:8]([C@:9]([N:10]([H:46])[H:47])([C:11](=[O:12])[O:13][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[C:27]([C@@:26]1([H:70])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:61]):[N:16]:[C:15]([N:14]([H:75])[H:76]):[C:20]:3:[N:21]:[C:22]:2[H:62])([H:63])[C@@:43]([O:44][H:73])([H:74])[C@@:41]1([O:42][H:71])[H:72])([H:68])[H:69])([H:54])[H:55])[H:56])[H:57])[H:58])([H:59])[H:60].[H][O:28][P:29](=[O:30])([O:31][H:64])[O:45][H:77].[H][O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67]