SMIRKS
[H]O[C:15]([C@:3]([C:2]([C:1]([H:69])([H:70])[H:71])([H:67])[H:68])([N:4]([C:5](=[O:6])[C:7]([C:8]([H:54])([H:55])[H:56])([C:9]([C:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])([H:61])[H:62])[H:63])[H:64])[H:66])=[O:16].[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:45][P:46](=[O:47])([O:48][H:82])[O:49][H:83]>>[H]OC(=O)C([H])([H])N([H])[C:15]([C@:3]([C:2]([C:1]([H:69])([H:70])[H:71])([H:67])[H:68])([N:4]([C:5](=[O:6])[C:7]([C:8]([H:54])([H:55])[H:56])([C:9]([C:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])([H:61])[H:62])[H:63])[H:64])[H:66])=[O:16].[H][O:45][P:46](=[O:47])([O:48][H:82])[O:49][H:83]
Derived Operators
EVODEX.1-F456 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -8 |
| N | -4 |
| H | -10 |
EVODEX.1-M439 - Mass Difference
-351.9975
EVODEX.1-E1265 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:72]-[#15:73])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:72](-[#15:73])-[H]
EVODEX.1-C817 - Reaction Operator C
[H]-[#8]-[#6:42].[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])-[#8:72]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:42].[H]-[#8:72]
EVODEX.1-N1028 - Reaction Operator N
[H]-[#8]-[#6:42](-[#6@:40])=[#8:43].[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])-[#8:72]-[#15:73]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:42](-[#6@:40])=[#8:43].[H]-[#8:72]-[#15:73]
EVODEX.1-Em23 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
EVODEX.1-Nm23 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7707
[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C:7]([C:8]([H:54])([H:55])[H:56])([C:9]([C:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])([H:61])[H:62])[H:63])[H:64])([C:15](=[O:16])[O:17][H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71].[H][N:18]([C:19]([C:20](=[O:21])[O:22][H:72])([H:73])[H:74])[H:75].[N:23]([C:24]1:[N:25]:[C:26]([H:77]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:78]):[N:32]:2[C@:33]1([H:79])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:80])[O:41][P:42](=[O:43])([O:44][H:81])[O:45][P:46](=[O:47])([O:48][H:82])[O:49][H:83])([H:84])[H:85])([H:86])[C@:50]([O:51][H:87])([H:88])[C@:52]1([O:53][H:89])[H:90])([H:91])[H:92]>>[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C:7]([C:8]([H:54])([H:55])[H:56])([C:9]([C:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])([H:61])[H:62])[H:63])[H:64])([C:15](=[O:16])[N:18]([C:19]([C:20](=[O:21])[O:22][H:72])([H:73])[H:74])[H:75])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71].[O:17]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:86])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:77]):[N:25]:[C:24]([N:23]([H:91])[H:92]):[C:29]:3:[N:30]:[C:31]:2[H:78])([H:79])[C@@:52]([O:53][H:89])([H:90])[C@@:50]1([O:51][H:87])[H:88])([H:84])[H:85])(=[O:39])[O:40][H:80])(=[O:43])[O:44][H:81])[H:65].[H][O:45][P:46](=[O:47])([O:48][H:82])[O:49][H:83]