SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:17][P:18](=[O:19])([O:20][H:45])[N:21]([P:22](=[O:23])([O:24][H:46])[O:25][H:47])[H:48]>>[H][O:17][P:18](=[O:19])([O:20][H:45])[N:21]([P:22](=[O:23])([O:24][H:46])[O:25][H:47])[H:48]
Derived Operators
EVODEX.1-F217 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -12 |
EVODEX.1-M132 - Mass Difference
-345.0475599999999
EVODEX.1-E925 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:17]-[#15:18])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H]>>[#8:17](-[#15:18])-[H]
EVODEX.1-C476 - Reaction Operator C
[H]-[#7]=[#6]1:[#7](-[H]):[#6](=[#8]):[#6]2:[#7]:[#6](-[H]):[#7](-[#6@]3(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-3(-[H])-[#8]-[H]):[#6]:2:[#7]:1-[H]>>[H]-[#8:18]
EVODEX.1-N580 - Reaction Operator N
[H]-[#7]=[#6]1:[#7](-[H]):[#6](=[#8]):[#6]2:[#7]:[#6](-[H]):[#7](-[#6@]3(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]-[#15:19])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-3(-[H])-[#8]-[H]):[#6]:2:[#7]:1-[H]>>[H]-[#8:18]-[#15:19]
EVODEX.1-Em35 - Reaction Operator Em
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
EVODEX.1-Nm37 - Reaction Operator Nm
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
Source Full Reactions
EVODEX.1-R4449
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:42]):[N:8]:2[C@:9]2([H:43])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:44])[O:17][P:18](=[O:19])([O:20][H:45])[N:21]([P:22](=[O:23])([O:24][H:46])[O:25][H:47])[H:48])([H:49])[H:50])([H:51])[C@:26]([O:27][H:52])([H:53])[C@:28]2([O:29][H:54])[H:55]):[C:30](=[O:31]):[N:32]:1[H:56])([H:57])[H:58].[H][O:35][P:34](=[O:33])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][H:62]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:42]):[N:8]:2[C@:9]2([H:43])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:44])[O:35][P:34](=[O:33])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][H:62])([H:49])[H:50])([H:51])[C@:26]([O:27][H:52])([H:53])[C@:28]2([O:29][H:54])[H:55]):[C:30](=[O:31]):[N:32]:1[H:56])([H:57])[H:58].[H][O:17][P:18](=[O:19])([O:20][H:45])[N:21]([P:22](=[O:23])([O:24][H:46])[O:25][H:47])[H:48]