7-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 3-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-4-methyl-thiophene-2-carboxylic acid methyl amide

HRID 2316686Notes

Reaction equation

HRID 2316686 reaction equation
[CH3:16][NH:17][C:18](=[O:19])[c:20]1[s:21][cH:22][c:23]([CH3:34])[c:24]1[NH:25][c:26]1[n:27][c:28]([Cl:33])[n:29][cH:30][c:31]1[Cl:32].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[NH:6][C:7](=[O:13])[CH2:8][CH2:9][C:10]2([CH3:11])[CH3:12]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[NH:6][C:7](=[O:13])[CH2:8][CH2:9][C:10]2([CH3:11])[CH3:12])[c:28]1[n:27][c:26]([NH:25][c:24]2[c:20]([C:18]([NH:17][CH3:16])=[O:19])[s:21][cH:22][c:23]2[CH3:34])[c:31]([Cl:32])[cH:30][n:29]1

Participants

3

Reactant 2

HCID 578538307-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 866340193-(2,5-dichloropyrimidin-4-ylamino)-N,4-dimethylthiophene-2-carboxamide

Product 1

HCID 668302503-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-4-methyl-thiophene-2-carboxylic acid methyl amide

Sources & evidence

ORD record
ord-d42442e86b164d6d9ad212e9ee4777ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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