SMIRKS
[H][N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:61])([H:62])[H:63])([C:27](=[O:28])[O:29][H:64])[H:65])[H:66].[N:1](=[C:2]([N:3]([H:84])[H:85])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([H:86])[H:87])([C:15](=[O:16])[O:17][H:88])[H:89])([H:90])[H:91])[H:92])([C:18](=[O:19])[O:20][H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])[H:102]>>[N:1](=[C:2]([N:3]([H:84])[H:85])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([H:86])[H:87])([C:15](=[O:16])[N:21]([C:22]([C:23]([C:24](=[O:25])[O:26][H:61])([H:62])[H:63])([C:27](=[O:28])[O:29][H:64])[H:65])[H:66])[H:89])([H:90])[H:91])[H:92])([C:18](=[O:19])[O:20][H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])[H:102].[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:17][H:88]
Derived Operators
EVODEX.1-F112 - Elemental Balance
| P | 2 |
| O | 9 |
| C | 10 |
| N | 5 |
| H | 13 |
EVODEX.1-M32 - Mass Difference
409.01899
EVODEX.1-C1031 - Reaction Operator C
[H]-[#7:5]-[#6@@:4].[#6:15]-[#8:17]>>[#7:5](-[#6@:4])-[#6:15].[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])-[#8:17]
EVODEX.1-N1285 - Reaction Operator N
[H]-[#7:5](-[#6@@:4](-[#6:2])(-[#6:6])-[H:55])-[H:52].[#6:15](-[#6@:13])(=[#8:16])-[#8:17]-[H:62]>>[#6:2]-[#6@:4](-[#7:5](-[#6:15](-[#6@:13])=[#8:16])-[H:52])(-[#6:6])-[H:55].[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])-[#8:17]-[H:62]
EVODEX.1-Em41 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
EVODEX.1-Nm46 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
Source Full Reactions
EVODEX.1-R7690
[H][N:21]([C@@:22]([C:23]([C:24](=[O:25])[O:26][H:61])([H:62])[H:63])([C:27](=[O:28])[O:29][H:64])[H:65])[H:66].[N:30]([C:31]1:[N:32]:[C:33]([H:68]):[N:34]:[C:35]2:[C:36]:1:[N:37]:[C:38]([H:69]):[N:39]:2[C@:40]1([H:70])[O:41][C@@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:71])[O:48][P:49](=[O:50])([O:51][H:72])[O:52][P:53](=[O:54])([O:55][H:73])[O:56][H:74])([H:75])[H:76])([H:77])[C@:57]([O:58][H:78])([H:79])[C@:59]1([O:60][H:80])[H:81])([H:82])[H:83].[N:1](=[C:2]([N:3]([H:84])[H:85])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([H:86])[H:87])([C:15](=[O:16])[O:17][H:88])[H:89])([H:90])[H:91])[H:92])([C:18](=[O:19])[O:20][H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])[H:102]>>[N:1](=[C:2]([N:3]([H:84])[H:85])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([H:86])[H:87])([C:15](=[O:16])[N:21]([C:22]([C:23]([C:24](=[O:25])[O:26][H:61])([H:62])[H:63])([C:27](=[O:28])[O:29][H:64])[H:65])[H:66])[H:89])([H:90])[H:91])[H:92])([C:18](=[O:19])[O:20][H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])[H:102].[O:17]([P:49]([O:48][P:45]([O:44][C:43]([C@@:42]1([H:77])[O:41][C@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:68]):[N:32]:[C:31]([N:30]([H:82])[H:83]):[C:36]:3:[N:37]:[C:38]:2[H:69])([H:70])[C@@:59]([O:60][H:80])([H:81])[C@@:57]1([O:58][H:78])[H:79])([H:75])[H:76])(=[O:46])[O:47][H:71])(=[O:50])[O:51][H:72])[H:88].[H][O:52][P:53](=[O:54])([O:55][H:73])[O:56][H:74]