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

HRID 188926Notes

Reaction equation

HRID 188926 reaction equation
[CH3:38][O:39][CH2:40][CH2:41][OH:42].[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.[NH2:21][c:22]1[cH:23][c:24]2[c:25]([cH:36][cH:37]1)[N:26]([CH2:34][CH3:35])[C:27](=[O:33])[CH2:28][CH2:29][C:30]2([CH3:31])[CH3:32]>>[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:36][cH:37]3)[N:26]([CH2:34][CH3:35])[C:27](=[O:33])[CH2:28][CH2:29][C:30]4([CH3:31])[CH3:32])[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

4

Reactant 3

HCID 80192-MethoxyethanolHCID 672637817-Amino-1-ethyl-5,5-dimethyl-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 668302713-Chloro-2-[5-chloro-2-(1-ethyl-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

Sources & evidence

ORD record
ord-10b74378db524b71bd1bf0482e9e4754
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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