SMIRKS
[O:22]=[C:23]([O:24][H:86])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111]>>[H]OC([H])([H])[C@]([H])(N([H])[C:23](=[O:22])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][O:24][H:86]
Derived Operators
EVODEX.1-F350 - Elemental Balance
| C | 18 |
| O | 2 |
| N | 1 |
| H | 37 |
EVODEX.1-M151 - Mass Difference
299.28261000000003
EVODEX.1-E1140 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#8:20]-[H:42]>>[#6:17]-[#6:18](=[#8:19])-[#7](-[#6@](-[#6@@](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[#8]-[H])-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H].[#8:20](-[H:42])-[H]
EVODEX.1-C692 - Reaction Operator C
[#6:20]-[#8:22]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:20])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:22]
EVODEX.1-N856 - Reaction Operator N
[#6:19]-[#6:20](=[#8:21])-[#8:22]-[H:44]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:20](-[#6:19])=[#8:21])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:22]-[H:44]
EVODEX.1-Em71 - Reaction Operator Em
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
EVODEX.1-Nm85 - Reaction Operator Nm
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
Source Full Reactions
EVODEX.1-R6319
[H][N:19]([C@:18]([C@@:16]([C:15](=[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:83])([H:84])[H:85])([H:81])[H:82])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])[H:58])[H:57])([O:17][H:49])[H:56])([C:20]([O:21][H:52])([H:53])[H:54])[H:55])[H:50].[O:22]=[C:23]([O:24][H:86])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C@@:16]([O:17][H:49])([C@@:18]([N:19]([C:23](=[O:22])[C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([N:36]([C:37]1:[C:38]([H:87]):[C:39]([H:88]):[C:40]([N+:41](=[O:42])[O-:43]):[C:44]2:[N:45]:[O:46]:[N:47]:[C:48]:1:2)[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])[H:50])([C:20]([O:21][H:52])([H:53])[H:54])[H:55])[H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])([H:84])[H:85].[H][O:24][H:86]