Toluene → HCID 15728806, 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.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:22][c:23]1[c:24]([CH:25]=[O:26])[cH:27][cH:28][cH:29][cH:30]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:25][c:24]3[c:23]([Cl:22])[cH:30][cH:29][cH:28][cH:27]3)[c:14]21Participants
5
Sources & evidence
- ORD record
- ord-85be501d7682492f973dd7f0695cc1f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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