Toluene → HCID 20291872, compound
Reaction equation
[CH2:15]([CH3:16])[CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26]([CH2:27][OH:28])([CH3:29])[CH3:30])[NH2:31].[CH2:39]([CH:40]([N:41]1[C:42](=[O:43])[c:44]2[c:45]([N:46]=[N+:47]=[N-:48])[cH:49][cH:50][cH:51][c:52]2[C:53]1=[O:54])[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][C:63]([CH3:64])([CH3:65])[CH2:66][OH:67])[CH3:68].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]2[c:6]([cH:12][cH:13][cH:14]1)[C:7](=[O:8])[O:9][C:10]2=[O:11]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]2[c:6]([cH:12][cH:13][cH:14]1)[C:7](=[O:9])[N:31]([CH:17]([CH2:15][CH3:16])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26]([CH2:27][OH:28])([CH3:29])[CH3:30])[C:10]2=[O:11]Participants
6
Sources & evidence
- ORD record
- ord-f84705dd69324d5a804903880e4dde40
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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