8-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-8-ylamino)-pyrimidin-4-ylamino]-N-ethyl-3-fluoro-benzamide

HRID 700913Notes

Reaction equation

HRID 700913 reaction equation
[Cl:16][c:17]1[n:18][cH:19][c:20]([Cl:36])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH2:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[F:35])[n:22]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[NH:7][C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[NH:7][C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13])[c:17]1[n:18][cH:19][c:20]([Cl:36])[c:21]([NH:23][c:24]2[c:25]([C:26](=[O:27])[NH:28][CH2:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[F:35])[n:22]1

Participants

3

Reactant 2

HCID 574160628-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 866339272-(2,5-Dichloro-pyrimidin-4-ylamino)-N-ethyl-3-fluoro-benzamide

Product 1

HCID 668306452-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-ylamino)-pyrimidin-4-ylamino]-N-ethyl-3-fluoro-benzamide

Sources & evidence

ORD record
ord-eb34c2572c4149d3bffeb054e9eb7080
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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