SMIRKS
[H][N:23]([C:24]1:[C:25]([H:39]):[C:26]([H:40]):[C:27]([S:28](=[O:29])(=[O:30])[N:31]([C:32]2:[N:33]:[C:34]([H:41]):[C:35]([H:42]):[S:36]:2)[H:43]):[C:37]([H:44]):[C:38]:1[H:45])[H:46].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:11]([C:10]1=[N:9][C:5]2:[C:4](:[N:3]([H:48]):[C:2](=[N:1][H:58]):[N:8]([H:49]):[C:6]:2=[O:7])[N:22]([H:57])[C:21]1([H:55])[H:56])([H:53])[H:54]>>[N:1](=[C:2]1:[N:3]([H:48]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:49])[N:9]=[C:10]([C:11]([N:23]([C:24]1:[C:25]([H:39]):[C:26]([H:40]):[C:27]([S:28](=[O:29])(=[O:30])[N:31]([C:32]3:[N:33]:[C:34]([H:41]):[C:35]([H:42]):[S:36]:3)[H:43]):[C:37]([H:44]):[C:38]:1[H:45])[H:46])([H:53])[H:54])[C:21]([H:55])([H:56])[N:22]2[H:57])[H:58]
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-R3318
[H][N:23]([C:24]1:[C:25]([H:39]):[C:26]([H:40]):[C:27]([S:28](=[O:29])(=[O:30])[N:31]([C:32]2:[N:33]:[C:34]([H:41]):[C:35]([H:42]):[S:36]:2)[H:43]):[C:37]([H:44]):[C:38]:1[H:45])[H:46].[N:1](=[C:2]1:[N:3]([H:48]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:49])[N:9]=[C:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:50])[O:16][P:17](=[O:18])([O:19][H:51])[O:20][H:52])([H:53])[H:54])[C:21]([H:55])([H:56])[N:22]2[H:57])[H:58]>>[N:1](=[C:2]1:[N:3]([H:48]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:49])[N:9]=[C:10]([C:11]([N:23]([C:24]1:[C:25]([H:39]):[C:26]([H:40]):[C:27]([S:28](=[O:29])(=[O:30])[N:31]([C:32]3:[N:33]:[C:34]([H:41]):[C:35]([H:42]):[S:36]:3)[H:43]):[C:37]([H:44]):[C:38]:1[H:45])[H:46])([H:53])[H:54])[C:21]([H:55])([H:56])[N:22]2[H:57])[H:58].[H][O:12][P:13](=[O:14])([O:15][H:50])[O:16][P:17](=[O:18])([O:19][H:51])[O:20][H:52]