SMIRKS
[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C:4]([C:5]([S:6][C:7]([C:8]([C@:9]([N:10]([H:49])[H:50])([C:11](=[O:12])[O:13][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])([H:63])[H:64].[H]OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])O[C:27]([C@@:26]1([H:74])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:65]):[N:16]:[C:15]([N:14]([H:79])[H:80]):[C:20]:3:[N:21]:[C:22]:2[H:66])([H:67])[C@@:43]([O:44][H:77])([H:78])[C@@:41]1([O:42][H:75])[H:76])([H:72])[H:73]>>[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C:4]([C:5]([S+:6]([C:7]([C:8]([C@:9]([N:10]([H:49])[H:50])([C:11](=[O:12])[O:13][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[C:27]([C@@:26]1([H:74])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:65]):[N:16]:[C:15]([N:14]([H:79])[H:80]):[C:20]:3:[N:21]:[C:22]:2[H:66])([H:67])[C@@:43]([O:44][H:77])([H:78])[C@@:41]1([O:42][H:75])[H:76])([H:72])[H:73])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])([H:63])[H:64]
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-R3495
[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C:4]([C:5]([S:6][C:7]([C:8]([C@:9]([N:10]([H:49])[H:50])([C:11](=[O:12])[O:13][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])([H:63])[H:64].[HH].[N:14]([C:15]1:[N:16]:[C:17]([H:65]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:66]):[N:23]:2[C@:24]1([H:67])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:68])[O:32][P:33](=[O:34])([O:35][H:69])[O:36][P:37](=[O:38])([O:39][H:70])[O:40][H:71])([H:72])[H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[C@:43]1([O:44][H:77])[H:78])([H:79])[H:80].[H][O:45][H:81]>>[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C:4]([C:5]([S+:6]([C:7]([C:8]([C@:9]([N:10]([H:49])[H:50])([C:11](=[O:12])[O:13][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])[C:27]([C@@:26]1([H:74])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:65]):[N:16]:[C:15]([N:14]([H:79])[H:80]):[C:20]:3:[N:21]:[C:22]:2[H:66])([H:67])[C@@:43]([O:44][H:77])([H:78])[C@@:41]1([O:42][H:75])[H:76])([H:72])[H:73])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])([H:63])[H:64].[H][O:28][P:29](=[O:30])([O:31][H:68])[O:45][H:81].[H][O:32][P:33](=[O:34])([O:35][H:69])[O:36][P:37](=[O:38])([O:39][H:70])[O:40][H:71]