SMIRKS
[N:10]([C:11]1:[C:12]([H:47]):[C:13]([H:48]):[N:14]([C@@:15]2([H:49])[C:16]([H:50])([H:51])[C@@:17]([O:18][H:52])([H:53])[C@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:54])[O:25][P:26](=[O:27])([O:28][H:55])[O:29][P:30](=[O:31])([O:32][H:56])[O:33][H:57])([H:58])[H:59])([H:60])[O:34]2):[C:35](=[O:36]):[N:37]:1)([H:61])[H:62]>>[H]C1:N:C(C([H])([H])[H]):C(C([H])([H])C([H])([H])O[P:30](=[O:31])([O:32][H:56])[O:33][H:57]):S:1.[H][O:29][P:26]([O:25][P:22]([O:21][C:20]([C@:19]1([H:60])[C@:17]([O:18][H:52])([H:53])[C:16]([H:50])([H:51])[C@@:15]([N:14]2:[C:13]([H:48]):[C:12]([H:47]):[C:11]([N:10]([H:61])[H:62]):[N:37]:[C:35]:2=[O:36])([H:49])[O:34]1)([H:58])[H:59])(=[O:23])[O:24][H:54])(=[O:27])[O:28][H:55]
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-R4069
[H][O:9][C:8]([C:7]([C:6]1:[C:2]([C:1]([H:44])([H:45])[H:46]):[N:3]:[C:4]([H:38]):[S:5]:1)([H:42])[H:43])([H:40])[H:41].[N:10]([C:11]1:[C:12]([H:47]):[C:13]([H:48]):[N:14]([C@@:15]2([H:49])[C:16]([H:50])([H:51])[C@@:17]([O:18][H:52])([H:53])[C@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:54])[O:25][P:26](=[O:27])([O:28][H:55])[O:29][P:30](=[O:31])([O:32][H:56])[O:33][H:57])([H:58])[H:59])([H:60])[O:34]2):[C:35](=[O:36]):[N:37]:1)([H:61])[H:62]>>[C:1]([C:2]1:[N:3]:[C:4]([H:38]):[S:5]:[C:6]:1[C:7]([C:8]([O:9][P:30](=[O:31])([O:32][H:56])[O:33][H:57])([H:40])[H:41])([H:42])[H:43])([H:44])([H:45])[H:46].[H][O:29][P:26]([O:25][P:22]([O:21][C:20]([C@:19]1([H:60])[C@:17]([O:18][H:52])([H:53])[C:16]([H:50])([H:51])[C@@:15]([N:14]2:[C:13]([H:48]):[C:12]([H:47]):[C:11]([N:10]([H:61])[H:62]):[N:37]:[C:35]:2=[O:36])([H:49])[O:34]1)([H:58])[H:59])(=[O:23])[O:24][H:54])(=[O:27])[O:28][H:55]