SMIRKS
[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:29][P:30](=[O:31])([O:32][H:58])[O:33][H:59].[H]O[C:39](=[O:38])[C@:41]1([H:70])[C:42]([H:71])([H:72])[C:43]([H:73])([H:74])[C:44]([H:75])([H:76])[N:45]1[H:77]>>[H]OC(=O)[C@@]([H])(N([H])[C:39](=[O:38])[C@:41]1([H:70])[C:42]([H:71])([H:72])[C:43]([H:73])([H:74])[C:44]([H:75])([H:76])[N:45]1[H:77])C([H])([H])[H].[H][O:29][P:30](=[O:31])([O:32][H:58])[O:33][H:59]
Derived Operators
EVODEX.1-F448 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -7 |
| N | -4 |
| H | -8 |
EVODEX.1-M431 - Mass Difference
-337.98184
EVODEX.1-E1257 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[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])-[#8:73]-[#15:74])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:73](-[#15:74])-[H]
EVODEX.1-C800 - Reaction Operator C
[H]-[#8]-[#6:7].[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])-[#8:38]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6](-[H])(-[H])-[H].[H]-[#8:38]
EVODEX.1-N1011 - Reaction Operator N
[H]-[#8]-[#6:7](-[#6@:5])=[#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])-[#8:38]-[#15:39]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](-[#6@:5])=[#8:8])-[#6](-[H])(-[H])-[H].[H]-[#8:38]-[#15:39]
EVODEX.1-Em23 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
EVODEX.1-Nm23 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7789
[H][N:3]([C@@:2]([C:1]([H:50])([H:51])[H:52])([C:4](=[O:5])[O:6][H:48])[H:49])[H:46].[N:7]([C:8]1:[N:9]:[C:10]([H:53]):[N:11]:[C:12]2:[C:13]:1:[N:14]:[C:15]([H:54]):[N:16]:2[C@:17]1([H:55])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:56])[O:25][P:26](=[O:27])([O:28][H:57])[O:29][P:30](=[O:31])([O:32][H:58])[O:33][H:59])([H:60])[H:61])([H:62])[C@:34]([O:35][H:63])([H:64])[C@:36]1([O:37][H:65])[H:66])([H:67])[H:68].[O:38]=[C:39]([O:40][H:69])[C@:41]1([H:70])[C:42]([H:71])([H:72])[C:43]([H:73])([H:74])[C:44]([H:75])([H:76])[N:45]1[H:77]>>[C:1]([C@:2]([N:3]([C:39](=[O:38])[C@:41]1([H:70])[C:42]([H:71])([H:72])[C:43]([H:73])([H:74])[C:44]([H:75])([H:76])[N:45]1[H:77])[H:46])([C:4](=[O:5])[O:6][H:48])[H:49])([H:50])([H:51])[H:52].[N:7]([C:8]1:[N:9]:[C:10]([H:53]):[N:11]:[C:12]2:[C:13]:1:[N:14]:[C:15]([H:54]):[N:16]:2[C@:17]1([H:55])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:56])[O:25][P:26](=[O:27])([O:28][H:57])[O:40][H:69])([H:60])[H:61])([H:62])[C@:34]([O:35][H:63])([H:64])[C@:36]1([O:37][H:65])[H:66])([H:67])[H:68].[H][O:29][P:30](=[O:31])([O:32][H:58])[O:33][H:59]