SMIRKS
[H][O:8][P:6]([O:5][C:4]([C:3]#[C:2][C:1]([H:45])([H:46])[H:47])([H:43])[H:44])(=[O:7])[O:9][H:42].[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:33](=[O:34])([O:35][H:53])[O:36][H:54]>>[C:1]([C:2]#[C:3][C:4]([O:5][P:6](=[O:7])([O:8][P:33](=[O:34])([O:35][H:53])[O:36][H:54])[O:9][H:42])([H:43])[H:44])([H:45])([H:46])[H:47]
Derived Operators
EVODEX.1-F125 - Elemental Balance
| P | -2 |
| O | -10 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M11 - Mass Difference
-427.02955
EVODEX.1-E756 - Reaction Operator E
[#15:14]-[#8:16]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:47](=[#8:48])(-[#8:49])-[#8:50])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#15:14]-[#8:16]-[#15:47](=[#8:48])(-[#8:49])-[#8:50]
EVODEX.1-C43 - Reaction Operator C
[H]-[#8:8].[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]-[#15:33]>>[#8:8]-[#15:33]
EVODEX.1-N1109 - Reaction Operator N
[H]-[#8:8]-[#15:6].[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]-[#15:33](=[#8:34])(-[#8:35])-[#8:36]>>[#15:6]-[#8:8]-[#15:33](=[#8:34])(-[#8:35])-[#8:36]
EVODEX.1-Em31 - Reaction Operator Em
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
EVODEX.1-Nm32 - Reaction Operator Nm
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
Source Full Reactions
EVODEX.1-R4270
[H][O:8][P:6]([O:5][C:4]([C:3]#[C:2][C:1]([H:45])([H:46])[H:47])([H:43])[H:44])(=[O:7])[O:9][H:42].[N:10]([C:11]1:[N:12]:[C:13]([H:48]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:49]):[N:19]:2[C@:20]1([H:50])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:51])[O:28][P:29](=[O:30])([O:31][H:52])[O:32][P:33](=[O:34])([O:35][H:53])[O:36][H:54])([H:55])[H:56])([H:57])[C@:37]([O:38][H:58])([H:59])[C@:39]1([O:40][H:60])[H:61])([H:62])[H:63]>>[C:1]([C:2]#[C:3][C:4]([O:5][P:6](=[O:7])([O:8][P:33](=[O:34])([O:35][H:53])[O:36][H:54])[O:9][H:42])([H:43])[H:44])([H:45])([H:46])[H:47].[H][O:32][P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:57])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:48]):[N:12]:[C:11]([N:10]([H:62])[H:63]):[C:16]:3:[N:17]:[C:18]:2[H:49])([H:50])[C@@:39]([O:40][H:60])([H:61])[C@@:37]1([O:38][H:58])[H:59])([H:55])[H:56])(=[O:26])[O:27][H:51])(=[O:30])[O:31][H:52]