1-Butanol → 2-[5-bromo-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide
Reaction equation
[CH2:35]([OH:36])[CH2:37][CH2:38][CH3:39].[Cl:1][c:2]1[n:3][cH:4][c:5]([Br:19])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1.[ClH:34].[NH2:20][c:21]1[cH:22][c:23]2[c:24]([cH:32][cH:33]1)[N:25]([CH3:31])[C:26](=[O:30])[CH2:27][CH2:28][CH2:29]2.[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[c:2]1([NH:20][c:21]2[cH:22][c:23]3[c:24]([cH:32][cH:33]2)[N:25]([CH3:31])[C:26](=[O:30])[CH2:27][CH2:28][CH2:29]3)[n:3][cH:4][c:5]([Br:19])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-891f978ac94546aca58f83d5343bb7aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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