Hydrochloric Acid → 3-Chloro-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 671821Notes

Reaction equation

HRID 671821 reaction equation
[CH:36]([OH:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[c:3]([NH:12][c:13]2[n:14][c:15]([Cl:20])[n:16][cH:17][c:18]2[Cl:19])[c:4]([C:5](=[O:6])[NH:7][CH3:8])[cH:9][cH:10][cH:11]1.[ClH:35].[NH2:21][c:22]1[cH:23][c:24]2[c:25]([cH:33][cH:34]1)[N:26]([CH3:32])[C:27](=[O:31])[CH2:28][CH2:29][CH2:30]2.[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[Cl:1][c:2]1[c:3]([NH:12][c:13]2[n:14][c:15]([NH:21][c:22]3[cH:23][c:24]4[c:25]([cH:33][cH:34]3)[N:26]([CH3:32])[C:27](=[O:31])[CH2:28][CH2:29][CH2:30]4)[n:16][cH:17][c:18]2[Cl:19])[c:4]([C:5](=[O:6])[NH:7][CH3:8])[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 312751,4-DioxaneHCID 197602587-Amino-1-methyl-1,3,4,5-tetrahydro-benzo[B]azepin-2-oneHCID 866338732-(2,5-dichloro-pyrimidin-4-ylamino)-3-chloro-N-methyl-benzamide

Product 1

HCID 668300523-Chloro-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

Sources & evidence

ORD record
ord-39add5d575994fb9bc0d0a4cd6740498
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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