Acetone → 2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

HRID 1134012Notes

Reaction equation

HRID 1134012 reaction equation
[CH3:34][C:35](=[O:36])[CH3:37].[CH3:38][O:39][CH2:40][CH2:41][OH:42].[Cl:15][c:16]1[n:17][cH:18][c:19]([Cl:33])[c:20]([NH:22][c:23]2[c:24]([C:25](=[O:26])[NH:27][CH3:28])[cH:29][cH:30][cH:31][cH:32]2)[n:21]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:13][cH:14]1)[N:6]([CH3:12])[C:7](=[O:11])[CH2:8][CH2:9][CH2:10]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:13][cH:14]1)[N:6]([CH3:12])[C:7](=[O:11])[CH2:8][CH2:9][CH2:10]2)[c:16]1[n:17][cH:18][c:19]([Cl:33])[c:20]([NH:22][c:23]2[c:24]([C:25](=[O:26])[NH:27][CH3:28])[cH:29][cH:30][cH:31][cH:32]2)[n:21]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 80192-MethoxyethanolHCID 197602587-Amino-1-methyl-1,3,4,5-tetrahydro-benzo[B]azepin-2-oneHCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamide

Product 1

HCID 247797282-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

Sources & evidence

ORD record
ord-f0e35de33709462587a440e494e4f1e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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