SMIRKS
[H]C([H])([H])[N:2]([C:3]([H:54])([H:55])[H:56])[C:4]([H:57])([H:58])[H:59]>>[H][N:2]([C:3]([H:54])([H:55])[H:56])[C:4]([H:57])([H:58])[H:59]
Derived Operators
EVODEX.1-F93 - Elemental Balance
| C | -1 |
| H | -2 |
EVODEX.1-M40 - Mass Difference
-14.01566
EVODEX.1-E673 - Reaction Operator E
[#6:2]-[#7:6](-[#6](-[H])(-[H])-[H])-[#6:8]>>[#6:2]-[#7:6](-[#6:8])-[H]
EVODEX.1-N173 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#7:12](-[#6:11])-[#6@@:14]>>[H]-[#7:12](-[#6:11])-[#6@@:14]
EVODEX.1-Em255 - Reaction Operator Em
[H]-[#6](-[H])(-[H])-[#7:12](-[#6:11])-[#6:14]>>[H]-[#7:12](-[#6:11])-[#6:14]
EVODEX.1-Nm253 - Reaction Operator Nm
[H]-[#6](-[H])(-[H])-[#7:12](-[#6:11])-[#6:14]>>[H]-[#7:12](-[#6:11])-[#6:14]
Source Full Reactions
EVODEX.1-R1104
[H][C:1]([N:2]([C:3]([H:54])([H:55])[H:56])[C:4]([H:57])([H:58])[H:59])([H:60])[H:61].[N:5]([C:6](=[O:7])[C:8]1:[C:9]([H:63]):[C:10]([H:64]):[C:11]([H:65]):[N+:12]([C@:13]2([H:66])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:67])[O:21][P:22](=[O:23])([O:24][H:68])[O:25][C:26]([C@@:27]3([H:69])[O:28][C@:29]([N:30]4:[C:31]([H:70]):[N:32]:[C:33]5:[C:34]([N:35]([H:71])[H:72]):[N:36]:[C:37]([H:73]):[N:38]:[C:39]:4:5)([H:74])[C@@:40]([O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76])([H:77])[C@@:46]3([O:47][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:48]([O:49][H:85])([H:86])[C@:50]2([O:51][H:87])[H:88]):[C:52]:1[H:89])([H:90])[H:91].[H][O:53][H]>>[C:1](=[O:53])([H:60])[H:61].[HH].[H][C:9]1([H:63])[C:8]([C:6]([N:5]([H:90])[H:91])=[O:7])=[C:52]([H:89])[N:12]([C@:13]2([H:66])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:67])[O:21][P:22](=[O:23])([O:24][H:68])[O:25][C:26]([C@@:27]3([H:69])[O:28][C@:29]([N:30]4:[C:31]([H:70]):[N:32]:[C:33]5:[C:34]([N:35]([H:71])[H:72]):[N:36]:[C:37]([H:73]):[N:38]:[C:39]:4:5)([H:74])[C@@:40]([O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76])([H:77])[C@@:46]3([O:47][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:48]([O:49][H:85])([H:86])[C@:50]2([O:51][H:87])[H:88])[C:11]([H:65])=[C:10]1[H:64].[H][N:2]([C:3]([H:54])([H:55])[H:56])[C:4]([H:57])([H:58])[H:59]