8-Amino-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 8-[5-Chloro-4-(2-fluoro-6-methanesulfonyl-phenylamino)-pyrimidin-2-ylamino]-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

HRID 2321726Notes

Reaction equation

HRID 2321726 reaction equation
[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:37])[c:23]([NH:25][c:26]2[c:27]([F:36])[cH:28][cH:29][cH:30][c:31]2[S:32](=[O:33])(=[O:34])[CH3:35])[n:24]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:15][CH3:16])[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:17]1)[N:7]([CH2:15][CH3:16])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13])[c:19]1[n:20][cH:21][c:22]([Cl:37])[c:23]([NH:25][c:26]2[c:27]([F:36])[cH:28][cH:29][cH:30][c:31]2[S:32](=[O:33])(=[O:34])[CH3:35])[n:24]1

Participants

3

Reactant 2

HCID 672640658-Amino-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 86633988(2,5-Dichloro-pyrimidin-4-yl)-(2-fluoro-6-methanesulfonyl-phenyl)-amine

Product 1

HCID 668295708-[5-Chloro-4-(2-fluoro-6-methanesulfonyl-phenylamino)-pyrimidin-2-ylamino]-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Sources & evidence

ORD record
ord-e08ee422f136480291df60796cf5a00e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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