Toluene → HCID 15728814, compound
Reaction equation
[CH2:16]1[NH:17][CH2:18][CH2:19][O:20][CH2:21]1.[CH2:1]1[CH2:2][CH2:3][CH2:4][c:5]2[n:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]([NH2:15])[c:14]21.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH:22](=[O:23])[c:24]1[cH:25][cH:26][cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12.[c:34]1([CH:35]=[N:36][c:37]2[c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]3[n:44][c:45]3[c:49]2[CH2:48][CH2:47][CH2:46]3)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]1[CH2:2][CH2:3][CH2:4][c:5]2[n:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]([N:15]=[CH:22][c:24]3[cH:25][cH:26][cH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]34)[c:14]21Participants
6
Sources & evidence
- ORD record
- ord-4e9246c02dd94ab3b9924637b47fc267
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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