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

HRID 665523Notes

Reaction equation

HRID 665523 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[n:7]1.[NH2:22][c:23]1[cH:24][c:25]2[c:26]([cH:35][cH:36]1)[NH:27][C:28](=[O:34])[CH2:29][CH2:30][C:31]2([CH3:32])[CH3:33]>>[c:2]1([NH:22][c:23]2[cH:24][c:25]3[c:26]([cH:35][cH:36]2)[NH:27][C:28](=[O:34])[CH2:29][CH2:30][C:31]3([CH3:32])[CH3:33])[n:3][cH:4][c:5]([Cl:21])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[n:7]1

Participants

3

Reactant 2

HCID 578538307-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 866338972-(2,5-Dichloro-pyrimidin-4-ylamino)-5-methoxy-N-methyl-benzamide

Product 1

HCID 668299022-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-5-methoxy-N-methyl-benzamide

Sources & evidence

ORD record
ord-8c17eac4beec487ab1ef910b1a6f6fb1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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