8-Amino-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 8-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HRID 141696Notes

Reaction equation

HRID 141696 reaction equation
[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:40])[c:23]([NH:25][c:26]2[c:27]([O:38][CH3:39])[cH:28][c:29]([N:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[cH:30][cH:31]2)[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:40])[c:23]([NH:25][c:26]2[c:27]([O:38][CH3:39])[cH:28][c:29]([N:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[cH:30][cH:31]2)[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 86633851(2,5-Dichloropyrimidin-4-yl)-(2-methoxy-4-morpholin-4-yl-phenyl)-amine

Product 1

HCID 668304908-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Sources & evidence

ORD record
ord-562636ba232048d2abb06a0e5c4da06c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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