SMIRKS
[N:1]([C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:60])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][C:23]([C@:24]3([H:63])[O:25][C@@:26]([N:27]4:[C:28]([H:64]):[N:29]:[C:30]5:[C:31]([N:32]([H:65])[H:66]):[N:33]:[C:34]([H:67]):[N:35]:[C:36]:4:5)([H:68])[C@:37]([O:38][H:69])([H:70])[C@:39]3([O:40][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:41]([O:42][H:78])([H:79])[C@:43]2([O:44][H:80])[H:81]):[C:45](=[O:46]):[N:47]:1)([H:82])[H:83]>>[H]OP(=O)(O[H])OP(=O)(O[H])O[P:11]([O:10][C:9]([C@@:8]1([H:77])[O:7][C@:6]([N:5]2:[C:4]([H:58]):[C:3]([H:57]):[C:2]([N:1]([H:82])[H:83]):[N:47]:[C:45]:2=[O:46])([H:59])[C@@:43]([O:44][H:80])([H:81])[C@@:41]1([O:42][H:78])[H:79])([H:75])[H:76])(=[O:12])[O:13][H:60].[H][O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][C:23]([C@:24]1([H:63])[O:25][C@@:26]([N:27]2:[C:28]([H:64]):[N:29]:[C:30]3:[C:31]([N:32]([H:65])[H:66]):[N:33]:[C:34]([H:67]):[N:35]:[C:36]:2:3)([H:68])[C@:37]([O:38][H:69])([H:70])[C@:39]1([O:40][H:71])[H:72])([H:73])[H:74]
Derived Operators
EVODEX.1-F131 - Elemental Balance
| P | 2 |
| O | 7 |
| H | 4 |
EVODEX.1-M65 - Mass Difference
177.94322
EVODEX.1-E771 - Reaction Operator E
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:19](-[#15:20])-[H]
EVODEX.1-C888 - Reaction Operator C
([#15:11]-[#8:14].[#6@:36]-[#6@:38])>>([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:11].[#6@@:38]-[#6@@:36]).[H]-[#8:14]
EVODEX.1-N1350 - Reaction Operator N
([#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[#8:42]-[#6@@:41](-[#6@@:13])(-[H:76])-[#6@:43](-[#6@:11])(-[#8:44])-[H:78])>>([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[#8:44]-[#6@:43](-[#6@:11])(-[H:78])-[#6@@:41](-[#6@@:13])(-[#8:42])-[H:76]).[H]-[#8:19]-[#15:20]
EVODEX.1-Em36 - Reaction Operator Em
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
EVODEX.1-Nm39 - Reaction Operator Nm
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
Source Full Reactions
EVODEX.1-R4283
[N:1]([C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:60])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][C:23]([C@:24]3([H:63])[O:25][C@@:26]([N:27]4:[C:28]([H:64]):[N:29]:[C:30]5:[C:31]([N:32]([H:65])[H:66]):[N:33]:[C:34]([H:67]):[N:35]:[C:36]:4:5)([H:68])[C@:37]([O:38][H:69])([H:70])[C@:39]3([O:40][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:41]([O:42][H:78])([H:79])[C@:43]2([O:44][H:80])[H:81]):[C:45](=[O:46]):[N:47]:1)([H:82])[H:83].[H][O:50][P:49](=[O:48])([O:51][H:85])[O:52][P:53](=[O:54])([O:55][H:86])[O:56][H:87]>>[N:1]([C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:60])[O:50][P:49](=[O:48])([O:51][H:85])[O:52][P:53](=[O:54])([O:55][H:86])[O:56][H:87])([H:75])[H:76])([H:77])[C@:41]([O:42][H:78])([H:79])[C@:43]2([O:44][H:80])[H:81]):[C:45](=[O:46]):[N:47]:1)([H:82])[H:83].[H][O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][C:23]([C@:24]1([H:63])[O:25][C@@:26]([N:27]2:[C:28]([H:64]):[N:29]:[C:30]3:[C:31]([N:32]([H:65])[H:66]):[N:33]:[C:34]([H:67]):[N:35]:[C:36]:2:3)([H:68])[C@:37]([O:38][H:69])([H:70])[C@:39]1([O:40][H:71])[H:72])([H:73])[H:74]