Hydrochloric Acid → 7-[5-Chloro-4-(2-pyrazol-1-yl-phenylamino)-pyrimidin-2-ylamino]-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HRID 159198Notes

Reaction equation

HRID 159198 reaction equation
[CH3:43][O:44][CH2:45][CH2:46][OH:47].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10](-[n:15]3[n:16][cH:17][cH:18][cH:19]3)[cH:11][cH:12][cH:13][cH:14]2)[n:7]1.[ClH:36].[NH2:21][c:22]1[cH:23][c:24]2[c:25]([cH:34][cH:35]1)[NH:26][C:27](=[O:33])[CH2:28][CH2:29][C:30]2([CH3:31])[CH3:32].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[c:2]1([NH:21][c:22]2[cH:23][c:24]3[c:25]([cH:34][cH:35]2)[NH:26][C:27](=[O:33])[CH2:28][CH2:29][C:30]3([CH3:31])[CH3:32])[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10](-[n:15]3[n:16][cH:17][cH:18][cH:19]3)[cH:11][cH:12][cH:13][cH:14]2)[n:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 80192-MethoxyethanolHCID 312751,4-DioxaneHCID 578538307-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 57853883(2,5-Dichloro-pyrimidin-4-yl)-(2-pyrazol-1-yl-phenyl)-amine

Product 1

HCID 668302907-[5-Chloro-4-(2-pyrazol-1-yl-phenylamino)-pyrimidin-2-ylamino]-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Sources & evidence

ORD record
ord-22ed0ec30b4f40d59b68dff7904fc1d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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