SMIRKS
[N:9]([C:10](=[O:11])[C:12](=[C:13]([C:14](=[O:15])[N:16]([C:17]([C@:18]([N:19]([H:81])[H:82])([C:20](=[O:21])[O:22][H:83])[H:84])([H:85])[H:86])[H:87])[H:88])[H:89])([H:90])[H:91]>>[H]OC(=O)[C@@]([H])(N([H])[C:20]([C@:18]([C:17]([N:16]([C:14]([C:13](=[C:12]([C:10]([N:9]([H:90])[H:91])=[O:11])[H:89])[H:88])=[O:15])[H:87])([H:85])[H:86])([N:19]([H:81])[H:82])[H:84])=[O:21])C([H])(C([H])([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:22][H:83]
Derived Operators
EVODEX.1-F564 - Elemental Balance
| P | 2 |
| O | 11 |
| C | 15 |
| N | 6 |
| H | 24 |
EVODEX.1-M532 - Mass Difference
526.0980199999999
EVODEX.1-E1387 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:108]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#6](-[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:108]
EVODEX.1-C944 - Reaction Operator C
[#6:17]-[#8:19]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[#6](-[H])(-[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])-[#8:19]
EVODEX.1-N1181 - Reaction Operator N
[#6:17](-[#6@@:10])(=[#8:18])-[#8:19]-[H:83]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](-[#6@@:10])=[#8:18])-[#6](-[H])(-[#6](-[H])(-[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])-[#8:19]-[H:83]
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-R7745
[H][N:5]([C@@:4]([C:2]([C:1]([H:62])([H:63])[H:64])([C:3]([H:54])([H:55])[H:56])[H:61])([C:6](=[O:7])[O:8][H:59])[H:60])[H:57].[N:23]([C:24]1:[N:25]:[C:26]([H:65]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:66]):[N:32]:2[C@:33]1([H:67])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:68])[O:41][P:42](=[O:43])([O:44][H:69])[O:45][P:46](=[O:47])([O:48][H:70])[O:49][H:71])([H:72])[H:73])([H:74])[C@:50]([O:51][H:75])([H:76])[C@:52]1([O:53][H:77])[H:78])([H:79])[H:80].[N:9]([C:10](=[O:11])[C:12](=[C:13]([C:14](=[O:15])[N:16]([C:17]([C@:18]([N:19]([H:81])[H:82])([C:20](=[O:21])[O:22][H:83])[H:84])([H:85])[H:86])[H:87])[H:88])[H:89])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:54])([H:55])[H:56])([C@:4]([N:5]([C:20]([C@:18]([C:17]([N:16]([C:14]([C:13](=[C:12]([C:10]([N:9]([H:90])[H:91])=[O:11])[H:89])[H:88])=[O:15])[H:87])([H:85])[H:86])([N:19]([H:81])[H:82])[H:84])=[O:21])[H:57])([C:6](=[O:7])[O:8][H:59])[H:60])[H:61])([H:62])([H:63])[H:64].[O:22]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:74])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:65]):[N:25]:[C:24]([N:23]([H:79])[H:80]):[C:29]:3:[N:30]:[C:31]:2[H:66])([H:67])[C@@:52]([O:53][H:77])([H:78])[C@@:50]1([O:51][H:75])[H:76])([H:72])[H:73])(=[O:39])[O:40][H:68])(=[O:43])[O:44][H:69])[H:83].[H][O:45][P:46](=[O:47])([O:48][H:70])[O:49][H:71]