SMIRKS
[O:22]=[C:23]1:[N:24]([H:68]):[C:25](=[O:26]):[C:27]2:[N:28]:[C:29]([H:69]):[N:30]([C@:31]3([H:70])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:71])[O:39][P:40](=[O:41])([O:42][H:72])[O:43][P:44](=[O:45])([O:46][H:73])[O:47][H:74])([H:75])[H:76])([H:77])[C@:48]([O:49][H:78])([H:79])[C@:50]3([O:51][H:80])[H:81]):[C:52]:2:[N:53]:1[H:82]>>[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[P:44](=[O:45])([O:46][H:73])[O:47][H:74].[H][O:43][P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:77])[O:32][C@:31]([N:30]2:[C:29]([H:69]):[N:28]:[C:27]3:[C:25](=[O:26]):[N:24]([H:68]):[C:23](=[O:22]):[N:53]([H:82]):[C:52]:3:2)([H:70])[C@@:50]([O:51][H:80])([H:81])[C@@:48]1([O:49][H:78])[H:79])([H:75])[H:76])(=[O:37])[O:38][H:71])(=[O:41])[O:42][H:72]
Derived Operators
EVODEX.1-F294 - Elemental Balance
| P | 1 |
| O | 8 |
| C | 9 |
| N | 3 |
| H | 14 |
EVODEX.1-M319 - Mass Difference
323.05192
EVODEX.1-E1060 - Reaction Operator E
[#15:38]-[#8:41]-[#15:42](=[#8:43])(-[#8:44])-[#8:45]>>[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[#15:42](=[#8:43])(-[#8:44])-[#8:45])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1)(-[H])-[H].[#15:38]-[#8:41]-[H]
EVODEX.1-C988 - Reaction Operator C
([#8:43]-[#15:44].[#6@:48]-[#6@:50])>>[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]-[#15:44].([H]-[#8:43].[#6@@:50]-[#6@@:48])
EVODEX.1-N1223 - Reaction Operator N
([#15:40]-[#8:43]-[#15:44](=[#8:45])(-[#8:46])-[#8:47].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:79])-[#6@:50](-[#6@:31])(-[#8:51])-[H:81])>>[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]-[#15:44](=[#8:45])(-[#8:46])-[#8:47].([H]-[#8:43]-[#15:40].[#8:51]-[#6@:50](-[#6@:31])(-[H:81])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:79])
EVODEX.1-Em36 - Reaction Operator Em
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
EVODEX.1-Nm39 - Reaction Operator Nm
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
Source Full Reactions
EVODEX.1-R4247
[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:61])[O:7][C@:6]([N:5]2:[C:4]([H:55]):[C:3]([H:54]):[C:2]([N:1]([H:66])[H:67]):[N:21]:[C:19]:2=[O:20])([H:56])[C@@:17]([O:18][H:64])([H:65])[C@@:15]1([O:16][H:62])[H:63])([H:59])[H:60])(=[O:12])[O:14][H:58].[O:22]=[C:23]1:[N:24]([H:68]):[C:25](=[O:26]):[C:27]2:[N:28]:[C:29]([H:69]):[N:30]([C@:31]3([H:70])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:71])[O:39][P:40](=[O:41])([O:42][H:72])[O:43][P:44](=[O:45])([O:46][H:73])[O:47][H:74])([H:75])[H:76])([H:77])[C@:48]([O:49][H:78])([H:79])[C@:50]3([O:51][H:80])[H:81]):[C:52]:2:[N:53]:1[H:82]>>[N:1]([C:2]1:[C:3]([H:54]):[C:4]([H:55]):[N:5]([C@:6]2([H:56])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][P:44](=[O:45])([O:46][H:73])[O:47][H:74])[O:14][H:58])([H:59])[H:60])([H:61])[C@:15]([O:16][H:62])([H:63])[C@:17]2([O:18][H:64])[H:65]):[C:19](=[O:20]):[N:21]:1)([H:66])[H:67].[H][O:43][P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:77])[O:32][C@:31]([N:30]2:[C:29]([H:69]):[N:28]:[C:27]3:[C:25](=[O:26]):[N:24]([H:68]):[C:23](=[O:22]):[N:53]([H:82]):[C:52]:3:2)([H:70])[C@@:50]([O:51][H:80])([H:81])[C@@:48]1([O:49][H:78])[H:79])([H:75])[H:76])(=[O:37])[O:38][H:71])(=[O:41])[O:42][H:72]