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

HRID 1219961Notes

Reaction equation

HRID 1219961 reaction equation
[CH3:40][O:41][CH:42]([OH:43])[CH3:44].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:24])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH2:13])[cH:14][c:15]([N:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:16][cH:17]2)[n:7]1.[ClH:39].[NH2:25][c:26]1[cH:27][c:28]2[c:29]([cH:37][cH:38]1)[N:30]([CH3:36])[C:31](=[O:35])[CH2:32][CH2:33][CH2:34]2.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[c:2]1([NH:25][c:26]2[cH:27][c:28]3[c:29]([cH:37][cH:38]2)[N:30]([CH3:36])[C:31](=[O:35])[CH2:32][CH2:33][CH2:34]3)[n:3][cH:4][c:5]([Cl:24])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH2:13])[cH:14][c:15]([N:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:16][cH:17]2)[n:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 30156371-MethoxyethanolHCID 197602587-Amino-1-methyl-1,3,4,5-tetrahydro-benzo[B]azepin-2-oneHCID 866338852-(2,5-Dichloro-pyrimidin-4-ylamino)-5-piperidin-1-yl-benzamide

Product 1

HCID 668299562-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-5-piperidin-1-yl-benzamide

Sources & evidence

ORD record
ord-35df50bfc156443ebeac223d6361709d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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