SMIRKS
[N:1]([C:2]([C:3](=[O:4])[N:5]([C@:6]1([H:66])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:67])[O:14][H:68])([H:69])[H:70])([H:71])[C@:15]([O:16][H:72])([H:73])[C@:17]1([O:18][H:74])[H:75])[H:76])([H:77])[H:78])([H:79])[H:80].[H][O:48][P:47](=[O:46])([O:49][H:82])[O:50][H:83]>>[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:48][P:47](=[O:46])([O:49][H:82])[O:50][H:83].[H]O[C:3]([C:2]([N:1]([H:79])[H:80])([H:77])[H:78])=[O:4].[H][N:5]([C@:6]1([H:66])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:67])[O:14][H:68])([H:69])[H:70])([H:71])[C@:15]([O:16][H:72])([H:73])[C@:17]1([O:18][H:74])[H:75])[H:76]
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-E1184 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:78].[#15:47]-[#8:48]-[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])-[#8:48]-[#15:47])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#6:2]-[#6:3](=[#8:4])-[#8]-[H].[#7:5](-[#6@:6])(-[H:78])-[H]
EVODEX.1-C1034 - Reaction Operator C
[#6:3]-[#7:5].[H]-[#8:48]>>[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])-[#8:48].[H]-[#8]-[#6:3].[H]-[#7:5]
EVODEX.1-N1288 - Reaction Operator N
[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:76].[H]-[#8:48]-[#15:47]>>[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])-[#8:48]-[#15:47].[H]-[#8]-[#6:3](-[#6:2])=[#8:4].[H]-[#7:5](-[#6@:6])-[H:76]
EVODEX.1-Em800 - Reaction Operator Em
[#6:2]-[#6:3](=[#8:4])-[#7:5]-[#6:6].[H]-[#8:48]-[#15:47]>>[#8]-[#15](=[#8])(-[#8])-[#8:48]-[#15:47].[H]-[#8]-[#6:3](-[#6:2])=[#8:4].[H]-[#7:5]-[#6:6]
EVODEX.1-Cm319 - Reaction Operator Cm
[#6:3]-[#7:5].[H]-[#8:48]>>[#15]-[#8:48].[#8]-[#6:3].[H]-[#7:5]
EVODEX.1-Nm716 - Reaction Operator Nm
[#6:2]-[#6:3](=[#8:4])-[#7:5]-[#6:6].[H]-[#8:48]-[#15:47]>>[#8]-[#15](=[#8])(-[#8])-[#8:48]-[#15:47].[H]-[#8]-[#6:3](-[#6:2])=[#8:4].[H]-[#7:5]-[#6:6]
Source Full Reactions
EVODEX.1-R7923
[N:19]([C:20]1:[N:21]:[C:22]([H:51]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:52]):[N:28]:2[C@:29]1([H:53])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:54])[O:37][P:38](=[O:39])([O:40][H:55])[O:41][H:56])([H:57])[H:58])([H:59])[C@:42]([O:43][H:60])([H:61])[C@:44]1([O:45][H:62])[H:63])([H:64])[H:65].[N:1]([C:2]([C:3](=[O:4])[N:5]([C@:6]1([H:66])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:67])[O:14][H:68])([H:69])[H:70])([H:71])[C@:15]([O:16][H:72])([H:73])[C@:17]1([O:18][H:74])[H:75])[H:76])([H:77])[H:78])([H:79])[H:80].[H][O:48][P:47](=[O:46])([O:49][H:82])[O:50][H:83]>>[N:19]([C:20]1:[N:21]:[C:22]([H:51]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:52]):[N:28]:2[C@:29]1([H:53])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:54])[O:37][P:38](=[O:39])([O:41][H:56])[O:48][P:47](=[O:46])([O:49][H:82])[O:50][H:83])([H:57])[H:58])([H:59])[C@:42]([O:43][H:60])([H:61])[C@:44]1([O:45][H:62])[H:63])([H:64])[H:65].[N:1]([C:2]([C:3](=[O:4])[O:40][H:55])([H:77])[H:78])([H:79])[H:80].[H][N:5]([C@:6]1([H:66])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:67])[O:14][H:68])([H:69])[H:70])([H:71])[C@:15]([O:16][H:72])([H:73])[C@:17]1([O:18][H:74])[H:75])[H:76]