SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:45])[O:19][P:20](=[O:21])([O:22][H:46])[O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@:26]1([O:27][H:53])[H:54])([H:55])[H:56]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:50])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:42]):[N:3]:[C:2]([N:1]([H:55])[H:56]):[C:7]:3:[N:8]:[C:9]:2[H:43])([H:44])[C@@:26]([O:27][H:53])([H:54])[C@@:24]1([O:25][H:51])[H:52])([H:48])[H:49])(=[O:17])[O:18][H:45].[H]O[C@@]1([H])[C@@]([H])(O[P:20](=[O:21])([O:22][H:46])[O:23][H:47])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]
Derived Operators
EVODEX.1-F311 - Elemental Balance
| P | 1 |
| O | 8 |
| C | 5 |
| H | 11 |
EVODEX.1-M325 - Mass Difference
230.01913
EVODEX.1-E1084 - 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@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]
EVODEX.1-C976 - Reaction Operator C
([#8:14]-[#15:15].[#6@:23]-[#6@:25])>>([H]-[#8:14].[#6@@:25]-[#6@@:23]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:15])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N571 - Reaction Operator N
([#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[#8:24]-[#6@@:23](-[#6@@:8])(-[H:55])-[#6@:25](-[#6@:6])(-[#8:26])-[H:57])>>([H]-[#8:14]-[#15:11].[#8:26]-[#6@:25](-[#6@:6])(-[H:57])-[#6@@:23](-[#6@@:8])(-[#8:24])-[H:55]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
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-R3928
[N:1]([C:2]1:[N:3]:[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:45])[O:19][P:20](=[O:21])([O:22][H:46])[O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@:26]1([O:27][H:53])[H:54])([H:55])[H:56].[H][O:37][C:36]1([H:61])[O:35][C@@:34]([C:33]([O:32][P:29](=[O:28])([O:30][H:57])[O:31][H:58])([H:66])[H:67])([H:59])[C@:40]([O:41][H:64])([H:65])[C@:38]1([O:39][H:62])[H:63]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:50])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:42]):[N:3]:[C:2]([N:1]([H:55])[H:56]):[C:7]:3:[N:8]:[C:9]:2[H:43])([H:44])[C@@:26]([O:27][H:53])([H:54])[C@@:24]1([O:25][H:51])[H:52])([H:48])[H:49])(=[O:17])[O:18][H:45].[P:20](=[O:21])([O:22][H:46])([O:23][H:47])[O:37][C@@:36]1([H:61])[O:35][C@@:34]([C:33]([O:32][P:29](=[O:28])([O:30][H:57])[O:31][H:58])([H:66])[H:67])([H:59])[C@:40]([O:41][H:64])([H:65])[C@:38]1([O:39][H:62])[H:63]
EVODEX.1-R3986
[N:1]([C:2]1:[N:3]:[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:45])[O:19][P:20](=[O:21])([O:22][H:46])[O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@:26]1([O:27][H:53])[H:54])([H:55])[H:56].[H][O:37][C:36]([C@@:35]1([H:63])[O:34][C@@:33]([O:32][P:29](=[O:28])([O:30][H:57])[O:31][H:58])([H:59])[C@@:40]([O:41][H:66])([H:67])[C@@:38]1([O:39][H:64])[H:65])([H:61])[H:62]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:50])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:42]):[N:3]:[C:2]([N:1]([H:55])[H:56]):[C:7]:3:[N:8]:[C:9]:2[H:43])([H:44])[C@@:26]([O:27][H:53])([H:54])[C@@:24]1([O:25][H:51])[H:52])([H:48])[H:49])(=[O:17])[O:18][H:45].[P:20](=[O:21])([O:22][H:46])([O:23][H:47])[O:37][C:36]([C@@:35]1([H:63])[O:34][C@@:33]([O:32][P:29](=[O:28])([O:30][H:57])[O:31][H:58])([H:59])[C@@:40]([O:41][H:66])([H:67])[C@@:38]1([O:39][H:64])[H:65])([H:61])[H:62]