SMIRKS
[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:67]):[C:15]([H:68]):[C:16]([O:17][H:69]):[C:18]([H:70]):[C:19]:1[H:71])([H:72])[H:73])([C:20](=[O:21])[O:22][H:74])[H:75])([H:76])[H:77]>>[H]OC(=O)[C@@]([H])(N([H])[C:20]([C@@:11]([N:10]([H:76])[H:77])([C:12]([C:13]1:[C:14]([H:67]):[C:15]([H:68]):[C:16]([O:17][H:69]):[C:18]([H:70]):[C:19]:1[H:71])([H:72])[H:73])[H:75])=[O:21])[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:22][H:74]
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-R7818
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([C:4]([H:54])([H:55])[H:56])[H:61])([C:7](=[O:8])[O:9][H:59])[H:60])[H:57].[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:67]):[C:15]([H:68]):[C:16]([O:17][H:69]):[C:18]([H:70]):[C:19]:1[H:71])([H:72])[H:73])([C:20](=[O:21])[O:22][H:74])[H:75])([H:76])[H:77].[N:23]([C:24]1:[N:25]:[C:26]([H:78]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:79]):[N:32]:2[C@:33]1([H:80])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:81])[O:41][P:42](=[O:43])([O:44][H:82])[O:45][P:46](=[O:47])([O:48][H:83])[O:49][H:84])([H:85])[H:86])([H:87])[C@:50]([O:51][H:88])([H:89])[C@:52]1([O:53][H:90])[H:91])([H:92])[H:93]>>[C:1]([C:2]([C@:3]([C:4]([H:54])([H:55])[H:56])([C@:5]([N:6]([C:20]([C@@:11]([N:10]([H:76])[H:77])([C:12]([C:13]1:[C:14]([H:67]):[C:15]([H:68]):[C:16]([O:17][H:69]):[C:18]([H:70]):[C:19]:1[H:71])([H:72])[H:73])[H:75])=[O:21])[H:57])([C:7](=[O:8])[O:9][H:59])[H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[O:22]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:87])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:78]):[N:25]:[C:24]([N:23]([H:92])[H:93]):[C:29]:3:[N:30]:[C:31]:2[H:79])([H:80])[C@@:52]([O:53][H:90])([H:91])[C@@:50]1([O:51][H:88])[H:89])([H:85])[H:86])(=[O:39])[O:40][H:81])(=[O:43])[O:44][H:82])[H:74].[H][O:45][P:46](=[O:47])([O:48][H:83])[O:49][H:84]