SMIRKS
[N:10]([C:11](=[O:12])[C:13]([C@:14]([N:15]([H:63])[H:64])([C:16](=[O:17])[O:18][H:65])[H:66])([H:67])[H:68])([H:69])[H:70]>>[H]OC(=O)[C@@]([H])(N([H])[C:16]([C@:14]([C:13]([C:11]([N:10]([H:69])[H:70])=[O:12])([H:67])[H:68])([N:15]([H:63])[H:64])[H:66])=[O:17])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[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:18][H:65]
Derived Operators
EVODEX.1-F566 - Elemental Balance
| P | 2 |
| O | 11 |
| C | 16 |
| N | 6 |
| H | 26 |
EVODEX.1-M534 - Mass Difference
540.1136799999999
EVODEX.1-E1389 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:109]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:44](-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H])-[H:109]
EVODEX.1-C836 - Reaction Operator C
[#6:20]-[#8:22]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[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])-[#8:22]
EVODEX.1-N1047 - Reaction Operator N
[#6:20](-[#6@@:11])(=[#8:21])-[#8:22]-[H:74]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20](-[#6@@:11])=[#8:21])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[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])-[#8:22]-[H:74]
EVODEX.1-Em21 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:44]
EVODEX.1-Nm21 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:44]
Source Full Reactions
EVODEX.1-R7753
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([C:4]([H:50])([H:51])[H:52])[H:57])([C:7](=[O:8])[O:9][H:55])[H:56])[H:53].[N:10]([C:11](=[O:12])[C:13]([C@:14]([N:15]([H:63])[H:64])([C:16](=[O:17])[O:18][H:65])[H:66])([H:67])[H:68])([H:69])[H:70].[N:19]([C:20]1:[N:21]:[C:22]([H:71]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:72]):[N:28]:2[C@:29]1([H:73])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:74])[O:37][P:38](=[O:39])([O:40][H:75])[O:41][P:42](=[O:43])([O:44][H:76])[O:45][H:77])([H:78])[H:79])([H:80])[C@:46]([O:47][H:81])([H:82])[C@:48]1([O:49][H:83])[H:84])([H:85])[H:86]>>[C:1]([C:2]([C@:3]([C:4]([H:50])([H:51])[H:52])([C@:5]([N:6]([C:16]([C@:14]([C:13]([C:11]([N:10]([H:69])[H:70])=[O:12])([H:67])[H:68])([N:15]([H:63])[H:64])[H:66])=[O:17])[H:53])([C:7](=[O:8])[O:9][H:55])[H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:80])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:71]):[N:21]:[C:20]([N:19]([H:85])[H:86]):[C:25]:3:[N:26]:[C:27]:2[H:72])([H:73])[C@@:48]([O:49][H:83])([H:84])[C@@:46]1([O:47][H:81])[H:82])([H:78])[H:79])(=[O:35])[O:36][H:74])(=[O:39])[O:40][H:75])[H:65].[H][O:41][P:42](=[O:43])([O:44][H:76])[O:45][H:77]