SMIRKS
[C:1]([C:2]1:[C:3]([H:39]):[N:4]([C@@:5]2([H:40])[C:6]([H:41])([H:42])[C@@:7]([O:8][H:43])([H:44])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:45])[O:15][P:16](=[O:17])([O:18][H:46])[O:19][P:20](=[O:21])([O:22][H:47])[O:23][H:48])([H:49])[H:50])([H:51])[O:24]2):[C:25](=[O:26]):[N:27]([H:52]):[C:28]:1=[O:29])([H:53])([H:54])[H:55]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:51])[C@:7]([O:8][H:43])([H:44])[C:6]([H:41])([H:42])[C@@:5]([N:4]2:[C:3]([H:39]):[C:2]([C:1]([H:53])([H:54])[H:55]):[C:28](=[O:29]):[N:27]([H:52]):[C:25]:2=[O:26])([H:40])[O:24]1)([H:49])[H:50])(=[O:13])[O:14][H:45])(=[O:17])[O:18][H:46].[H]C1:N:C(C([H])([H])[H]):C(C([H])([H])C([H])([H])O[P:20](=[O:21])([O:22][H:47])[O:23][H:48]):S:1
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-C1085 - Reaction Operator C
([#8:19]-[#15:20].[#6@@:7])>>([H]-[#8:19].[#6@:7]).[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:20]):[#16]:1
EVODEX.1-N1334 - Reaction Operator N
([#6:6]-[#6@@:7](-[#8:8])(-[H:44])-[#6@:9].[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23])>>([H]-[#8:19]-[#15:16].[#8:8]-[#6@@:7](-[#6@:9])(-[H:44])-[#6:6]).[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]):[#16]:1
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-R4071
[C:1]([C:2]1:[C:3]([H:39]):[N:4]([C@@:5]2([H:40])[C:6]([H:41])([H:42])[C@@:7]([O:8][H:43])([H:44])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:45])[O:15][P:16](=[O:17])([O:18][H:46])[O:19][P:20](=[O:21])([O:22][H:47])[O:23][H:48])([H:49])[H:50])([H:51])[O:24]2):[C:25](=[O:26]):[N:27]([H:52]):[C:28]:1=[O:29])([H:53])([H:54])[H:55].[H][O:38][C:37]([C:36]([C:35]1:[C:31]([C:30]([H:62])([H:63])[H:64]):[N:32]:[C:33]([H:56]):[S:34]:1)([H:60])[H:61])([H:58])[H:59]>>[H][O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:51])[C@:7]([O:8][H:43])([H:44])[C:6]([H:41])([H:42])[C@@:5]([N:4]2:[C:3]([H:39]):[C:2]([C:1]([H:53])([H:54])[H:55]):[C:28](=[O:29]):[N:27]([H:52]):[C:25]:2=[O:26])([H:40])[O:24]1)([H:49])[H:50])(=[O:13])[O:14][H:45])(=[O:17])[O:18][H:46].[P:20](=[O:21])([O:22][H:47])([O:23][H:48])[O:38][C:37]([C:36]([C:35]1:[C:31]([C:30]([H:62])([H:63])[H:64]):[N:32]:[C:33]([H:56]):[S:34]:1)([H:60])[H:61])([H:58])[H:59]