SMIRKS
[H][N:5]([C@@:4]([C:3]([C:2]([C:1]([H:58])([H:59])[H:60])([H:56])[H:57])([H:54])[H:55])([C:6](=[O:7])[O:8][H:52])[H:53])[H:50].[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:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67].[H]O[C:13]([C:12]([C:11]([C@:10]([N:9]([H:84])[H:85])([C:16](=[O:17])[O:18][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:14]>>[C:1]([C:2]([C:3]([C@:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:84])[H:85])([C:16](=[O:17])[O:18][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:14])[H:50])([C:6](=[O:7])[O:8][H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67]
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-E766 - Reaction Operator E
[#7:11]-[#6@@:12](-[#6:13]-[#6:14]-[#6:15](=[#8:16])-[#8]-[H])(-[#6:18])-[H:58].[#7:1](-[#6:2])(-[H:70])-[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])-[#8:43]-[#15:44])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6:2])(-[#6:15](-[#6:14]-[#6:13]-[#6@:12](-[#7:11])(-[#6:18])-[H:58])=[#8:16])-[H:70].[#8:43](-[#15:44])-[H]
EVODEX.1-C807 - Reaction Operator C
[H]-[#7:6]-[#6@@:5].[H]-[#8]-[#6:19].[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])-[#8:44]>>[#7:6](-[#6@:5])-[#6:19].[H]-[#8:44]
EVODEX.1-N1018 - Reaction Operator N
[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:7])-[H:56])-[H:53].[H]-[#8]-[#6:19](-[#6@@:11])=[#8:20].[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])-[#8:44]-[#15:45]>>[#6:4]-[#6@:5](-[#7:6](-[#6:19](-[#6@@:11])=[#8:20])-[H:53])(-[#6:7])-[H:56].[H]-[#8:44]-[#15:45]
EVODEX.1-Em40 - Reaction Operator Em
[H]-[#8]-[#6:46](-[#6:44])=[#8:47].[H]-[#7:49]-[#6:50].[#8]-[#15](=[#8])(-[#8])-[#8:81]-[#15:78]>>[#6:44]-[#6:46](=[#8:47])-[#7:49]-[#6:50].[H]-[#8:81]-[#15:78]
EVODEX.1-Cm59 - Reaction Operator Cm
[#8]-[#6:46].[H]-[#7:49].[#15]-[#8:81]>>[#6:46]-[#7:49].[H]-[#8:81]
EVODEX.1-Nm45 - Reaction Operator Nm
[H]-[#8]-[#6:46](-[#6:44])=[#8:47].[H]-[#7:49]-[#6:50].[#8]-[#15](=[#8])(-[#8])-[#8:81]-[#15:78]>>[#6:44]-[#6:46](=[#8:47])-[#7:49]-[#6:50].[H]-[#8:81]-[#15:78]
Source Full Reactions
EVODEX.1-R7681
[H][N:5]([C@@:4]([C:3]([C:2]([C:1]([H:58])([H:59])[H:60])([H:56])[H:57])([H:54])[H:55])([C:6](=[O:7])[O:8][H:52])[H:53])[H:50].[N:19]([C:20]1:[N:21]:[C:22]([H:61]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:62]):[N:28]:2[C@:29]1([H:63])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:64])[O:37][P:38](=[O:39])([O:40][H:65])[O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67])([H:68])[H:69])([H:70])[C@:46]([O:47][H:71])([H:72])[C@:48]1([O:49][H:73])[H:74])([H:75])[H:76].[N:9]([C@@:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:77])([H:78])[H:79])([H:80])[H:81])([C:16](=[O:17])[O:18][H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2]([C:3]([C@:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:84])[H:85])([C:16](=[O:17])[O:18][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:14])[H:50])([C:6](=[O:7])[O:8][H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[O:15]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:70])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:61]):[N:21]:[C:20]([N:19]([H:75])[H:76]):[C:25]:3:[N:26]:[C:27]:2[H:62])([H:63])[C@@:48]([O:49][H:73])([H:74])[C@@:46]1([O:47][H:71])[H:72])([H:68])[H:69])(=[O:35])[O:36][H:64])(=[O:39])[O:40][H:65])[H:77].[H][O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67]