SMIRKS
[O:28]=[P:29]([O:30][H:59])([O:31][H:60])[O:32][C:33]([C@@:34]1([H:61])[O:35][C:36]([O:37][H:62])([H:63])[C@@:38]([O:39][H:64])([H:65])[C@:40]([O:41][H:66])([H:67])[C@@:42]1([O:43][H:68])[H:69])([H:70])[H:71]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:29](=[O:28])([O:30][H:59])[O:31][H:60].[H][O:32][C:33]([C@@:34]1([H:61])[O:35][C:36]([O:37][H:62])([H:63])[C@@:38]([O:39][H:64])([H:65])[C@:40]([O:41][H:66])([H:67])[C@@:42]1([O:43][H:68])[H:69])([H:70])[H:71]
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1181 - Reaction Operator E
[#8:14](-[#6@@:2])-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#8:14](-[#6@@:2])-[H].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8]-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H]
EVODEX.1-C1089 - Reaction Operator C
[#8:24]-[#15:25]>>[H]-[#8:24].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:25]
EVODEX.1-N1646 - Reaction Operator N
[#8:28]=[#15:29](-[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:29](=[#8:28])(-[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]
EVODEX.1-Em63 - Reaction Operator Em
[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]
EVODEX.1-Nm76 - Reaction Operator Nm
[#6:32]-[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]>>[H]-[#8:33]-[#6:32].[#15]-[#8]-[#15:34](=[#8:35])(-[#8:36])-[#8:37]
Source Full Reactions
EVODEX.1-R4093
[H][O:22][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:52])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:44]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:45])([H:46])[C@@:26]([O:27][H:55])([H:56])[C@@:24]1([O:25][H:53])[H:54])([H:50])[H:51])(=[O:17])[O:18][H:47])(=[O:21])[O:23][H:49].[O:28]=[P:29]([O:30][H:59])([O:31][H:60])[O:32][C:33]([C@@:34]1([H:61])[O:35][C:36]([O:37][H:62])([H:63])[C@@:38]([O:39][H:64])([H:65])[C@:40]([O:41][H:66])([H:67])[C@@:42]1([O:43][H:68])[H:69])([H:70])[H:71]>>[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][P:29](=[O:28])([O:30][H:59])[O:31][H:60])[O:23][H:49])([H:50])[H:51])([H:52])[C@:24]([O:25][H:53])([H:54])[C@:26]1([O:27][H:55])[H:56])([H:57])[H:58].[H][O:32][C:33]([C@@:34]1([H:61])[O:35][C:36]([O:37][H:62])([H:63])[C@@:38]([O:39][H:64])([H:65])[C@:40]([O:41][H:66])([H:67])[C@@:42]1([O:43][H:68])[H:69])([H:70])[H:71]