SMIRKS
[N:10]([C:11]1:[N:12]:[C:13]2:[C:14](:[N:15]:[C:16]([H:51]):[N:17]:2[C@:18]2([H:52])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:53])[O:26][P:27](=[O:28])([O:29][H:54])[O:30][P:31](=[O:32])([O:33][H:55])[O:34][H:56])([H:57])[H:58])([H:59])[C@:35]([O:36][H:60])([H:61])[C@:37]2([O:38][H:62])[H:63]):[C:39](=[O:40]):[N:41]:1[H:64])([H:65])[H:66]>>[H]C1:N:C(C([H])([H])[H]):C(C([H])([H])C([H])([H])O[P:31](=[O:32])([O:33][H:55])[O:34][H:56]):S:1.[H][O:30][P:27]([O:26][P:23]([O:22][C:21]([C@@:20]1([H:59])[O:19][C@:18]([N:17]2:[C:13]3:[N:12]:[C:11]([N:10]([H:65])[H:66]):[N:41]([H:64]):[C:39](=[O:40]):[C:14]:3:[N:15]:[C:16]:2[H:51])([H:52])[C@@:37]([O:38][H:62])([H:63])[C@@:35]1([O:36][H:60])[H:61])([H:57])[H:58])(=[O:24])[O:25][H:53])(=[O:28])[O:29][H:54]
Derived Operators
EVODEX.1-F453 - Elemental Balance
| O | 1 |
| C | 6 |
| S | 1 |
| N | 1 |
| H | 9 |
EVODEX.1-M436 - Mass Difference
143.04057
EVODEX.1-E1262 - Reaction Operator E
[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8]-[#6](-[#6](-[#6]1:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[H]):[#16]:1)(-[H])-[H])(-[H])-[H]
EVODEX.1-C989 - Reaction Operator C
([#8:27]-[#15:28].[#6@:32]-[#6@:34])>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:28]):[#16]:1.([H]-[#8:27].[#6@@:34]-[#6@@:32])
EVODEX.1-N1224 - Reaction Operator N
([#15:24]-[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31].[#8:33]-[#6@@:32](-[#6@@:17])(-[H:59])-[#6@:34](-[#6@:15])(-[#8:35])-[H:61])>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]):[#16]:1.([H]-[#8:27]-[#15:24].[#8:35]-[#6@:34](-[#6@:15])(-[H:61])-[#6@@:32](-[#6@@:17])(-[#8:33])-[H:59])
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R4067
[H][O:9][C:8]([C:7]([C:6]1:[C:2]([C:1]([H:48])([H:49])[H:50]):[N:3]:[C:4]([H:42]):[S:5]:1)([H:46])[H:47])([H:44])[H:45].[N:10]([C:11]1:[N:12]:[C:13]2:[C:14](:[N:15]:[C:16]([H:51]):[N:17]:2[C@:18]2([H:52])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:53])[O:26][P:27](=[O:28])([O:29][H:54])[O:30][P:31](=[O:32])([O:33][H:55])[O:34][H:56])([H:57])[H:58])([H:59])[C@:35]([O:36][H:60])([H:61])[C@:37]2([O:38][H:62])[H:63]):[C:39](=[O:40]):[N:41]:1[H:64])([H:65])[H:66]>>[C:1]([C:2]1:[N:3]:[C:4]([H:42]):[S:5]:[C:6]:1[C:7]([C:8]([O:9][P:31](=[O:32])([O:33][H:55])[O:34][H:56])([H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:30][P:27]([O:26][P:23]([O:22][C:21]([C@@:20]1([H:59])[O:19][C@:18]([N:17]2:[C:13]3:[N:12]:[C:11]([N:10]([H:65])[H:66]):[N:41]([H:64]):[C:39](=[O:40]):[C:14]:3:[N:15]:[C:16]:2[H:51])([H:52])[C@@:37]([O:38][H:62])([H:63])[C@@:35]1([O:36][H:60])[H:61])([H:57])[H:58])(=[O:24])[O:25][H:53])(=[O:28])[O:29][H:54]