SMIRKS
[H][N:13]([C:12]1:[C:11]([H:42]):[C:10]([H:41]):[C:9]([S:6]([N:5]([C:4]2:[C:3]([H:40]):[C:2]([C:1]([H:48])([H:49])[H:50]):[O:17]:[N:16]:2)[H:47])(=[O:7])=[O:8]):[C:15]([H:46]):[C:14]:1[H:45])[H:43].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:28]([C:27]1=[N:26][C:22]2:[C:21](:[N:20]([H:51]):[C:19](=[N:18][H:61]):[N:25]([H:52]):[C:23]:2=[O:24])[N:39]([H:60])[C:38]1([H:58])[H:59])([H:56])[H:57]>>[C:1]([C:2]1:[C:3]([H:40]):[C:4]([N:5]([S:6](=[O:7])(=[O:8])[C:9]2:[C:10]([H:41]):[C:11]([H:42]):[C:12]([N:13]([C:28]([C:27]3=[N:26][C:22]4:[C:21](:[N:20]([H:51]):[C:19](=[N:18][H:61]):[N:25]([H:52]):[C:23]:4=[O:24])[N:39]([H:60])[C:38]3([H:58])[H:59])([H:56])[H:57])[H:43]):[C:14]([H:45]):[C:15]:2[H:46])[H:47]):[N:16]:[O:17]:1)([H:48])([H:49])[H:50]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E710 - Reaction Operator E
[#6:4]-[#6:5](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:48])-[H:49].[#7:15](-[#6:16])(-[H:67])-[H]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49]
EVODEX.1-C398 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:5].[H]-[#7:15]>>[#6:5]-[#7:15]
EVODEX.1-N477 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:5](-[#6:4])(-[H:48])-[H:49].[H]-[#7:15](-[#6:16])-[H:67]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49]
EVODEX.1-Em513 - Reaction Operator Em
[#15]-[#8]-[#6:5]-[#6:4].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16]
EVODEX.1-Nm464 - Reaction Operator Nm
[#15]-[#8]-[#6:5]-[#6:4].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16]
Source Full Reactions
EVODEX.1-R3317
[H][N:13]([C:12]1:[C:11]([H:42]):[C:10]([H:41]):[C:9]([S:6]([N:5]([C:4]2:[C:3]([H:40]):[C:2]([C:1]([H:48])([H:49])[H:50]):[O:17]:[N:16]:2)[H:47])(=[O:7])=[O:8]):[C:15]([H:46]):[C:14]:1[H:45])[H:43].[N:18](=[C:19]1:[N:20]([H:51]):[C:21]2:[C:22](:[C:23](=[O:24]):[N:25]:1[H:52])[N:26]=[C:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:53])[O:33][P:34](=[O:35])([O:36][H:54])[O:37][H:55])([H:56])[H:57])[C:38]([H:58])([H:59])[N:39]2[H:60])[H:61]>>[C:1]([C:2]1:[C:3]([H:40]):[C:4]([N:5]([S:6](=[O:7])(=[O:8])[C:9]2:[C:10]([H:41]):[C:11]([H:42]):[C:12]([N:13]([C:28]([C:27]3=[N:26][C:22]4:[C:21](:[N:20]([H:51]):[C:19](=[N:18][H:61]):[N:25]([H:52]):[C:23]:4=[O:24])[N:39]([H:60])[C:38]3([H:58])[H:59])([H:56])[H:57])[H:43]):[C:14]([H:45]):[C:15]:2[H:46])[H:47]):[N:16]:[O:17]:1)([H:48])([H:49])[H:50].[H][O:29][P:30](=[O:31])([O:32][H:53])[O:33][P:34](=[O:35])([O:36][H:54])[O:37][H:55]