2-(propan-2-yl)-1H-1,3-benzodiazole → HCID 53378159, compound
Reaction equation
[CH:29]([CH3:30])([CH3:31])[c:32]1[n:33][c:34]2[c:35]([nH:36]1)[cH:37][cH:38][cH:39][cH:40]2.[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][N:13]1[CH2:14][CH:15]([CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[CH2:16]1)[n:11]2>>[c:2]1(-[n:33]2[c:32]([CH:29]([CH3:30])[CH3:31])[n:36][c:35]3[c:34]2[cH:40][cH:39][cH:38][cH:37]3)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][c:10]([CH2:12][N:13]1[CH2:14][CH:15]([CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[CH2:16]1)[n:11]2Participants
3
Sources & evidence
- ORD record
- ord-db990066551b4bdb8b4f88445aad899d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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