SMIRKS
[H][O:32][P:31](=[O:30])([O:33][H:61])[O:34][C@@:35]1([H:62])[O:36][C:37]([H:63])([H:64])[C@:38]([O:39][H:65])([H:66])[C@@:40]([O:41][H:67])([H:68])[C@:42]1([O:43][H:69])[H:70]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:32][P:31](=[O:30])([O:33][H:61])[O:34][C@@:35]1([H:62])[O:36][C:37]([H:63])([H:64])[C@:38]([O:39][H:65])([H:66])[C@@:40]([O:41][H:67])([H:68])[C@:42]1([O:43][H:69])[H:70]
Derived Operators
EVODEX.1-F459 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 9 |
| N | 3 |
| H | 12 |
EVODEX.1-M163 - Mass Difference
305.04136
EVODEX.1-E1269 - Reaction Operator E
[#15:17]-[#8:19]-[H]>>[#15:17]-[#8:19]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#7]-[H]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H]
EVODEX.1-C129 - Reaction Operator C
[H]-[#8:13]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]
EVODEX.1-N585 - Reaction Operator N
[H]-[#8:27]-[#15:25]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]-[#15:25]
EVODEX.1-Em28 - Reaction Operator Em
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
EVODEX.1-Nm28 - Reaction Operator Nm
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
Source Full Reactions
EVODEX.1-R4419
[N:1]([C:2]1:[C:3]([H:44]):[C:4]([H:45]):[N:5]([C@:6]2([H:46])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:47])[O:14][P:15](=[O:16])([O:17][H:48])[O:18][P:19](=[O:20])([O:21][H:49])[O:22][H:50])([H:51])[H:52])([H:53])[C@:23]([O:24][H:54])([H:55])[C@:25]2([O:26][H:56])[H:57]):[C:27](=[O:28]):[N:29]:1)([H:58])[H:59].[H][O:32][P:31](=[O:30])([O:33][H:61])[O:34][C@@:35]1([H:62])[O:36][C:37]([H:63])([H:64])[C@:38]([O:39][H:65])([H:66])[C@@:40]([O:41][H:67])([H:68])[C@:42]1([O:43][H:69])[H:70]>>[N:1]([C:2]1:[C:3]([H:44]):[C:4]([H:45]):[N:5]([C@:6]2([H:46])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:47])[O:32][P:31](=[O:30])([O:33][H:61])[O:34][C@@:35]3([H:62])[O:36][C:37]([H:63])([H:64])[C@:38]([O:39][H:65])([H:66])[C@@:40]([O:41][H:67])([H:68])[C@:42]3([O:43][H:69])[H:70])([H:51])[H:52])([H:53])[C@:23]([O:24][H:54])([H:55])[C@:25]2([O:26][H:56])[H:57]):[C:27](=[O:28]):[N:29]:1)([H:58])[H:59].[H][O:14][P:15](=[O:16])([O:17][H:48])[O:18][P:19](=[O:20])([O:21][H:49])[O:22][H:50]