Toluene → HCID 70157266, compound
Reaction equation
[C:66]([OH:67])([CH3:68])([CH3:69])[CH3:70].[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]([C:12]2([c:24]3[cH:25][c:26]([C:27]([OH:28])=[O:29])[cH:30][cH:31][cH:32]3)[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][CH2:21][CH3:22])[CH3:23])[CH2:16][CH2:17]2)[n:10][cH:11]1)[CH2:33][CH3:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:42]1([P:43]([N:44]=[N+:45]=[N-:46])([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)=[O:53])[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]([C:12]2([c:24]3[cH:25][c:26]([NH2:37])[cH:30][cH:31][cH:32]3)[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][CH2:21][CH3:22])[CH3:23])[CH2:16][CH2:17]2)[n:10][cH:11]1)[CH2:33][CH3:34]Participants
6
Sources & evidence
- ORD record
- ord-bc74dc8c484e43828e49129e40cc0f26
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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