8-Amino-1-isopropyl-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-isopropyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HRID 1153455Notes

Reaction equation

HRID 1153455 reaction equation
[Cl:19][c:20]1[n:21][cH:22][c:23]([Cl:41])[c:24]([NH:26][c:27]2[c:28]([O:39][CH3:40])[cH:29][c:30]([N:33]3[CH2:34][CH2:35][O:36][CH2:37][CH2:38]3)[cH:31][cH:32]2)[n:25]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[N:7]([CH:15]([CH3:16])[CH3:17])[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:18]1)[N:7]([CH:15]([CH3:16])[CH3:17])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13])[c:20]1[n:21][cH:22][c:23]([Cl:41])[c:24]([NH:26][c:27]2[c:28]([O:39][CH3:40])[cH:29][c:30]([N:33]3[CH2:34][CH2:35][O:36][CH2:37][CH2:38]3)[cH:31][cH:32]2)[n:25]1

Participants

3

Reactant 2

HCID 672644338-Amino-1-isopropyl-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 668302648-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-isopropyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Sources & evidence

ORD record
ord-467eb19c05774901ae97f8ed72cfe298
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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