7-Amino-1-(2-methoxyethyl)-1,3,4,5-tetrahydrobenzo[b]azepin-2-one → 2-{2-[1-(2-Methoxyethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino]-5-trifluoromethylpyrimidin-4-ylamino]-N-methylbenzamide

HRID 108878Notes

Reaction equation

HRID 108878 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([C:19]([F:20])([F:21])[F:22])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1.[NH2:23][c:24]1[cH:25][c:26]2[c:27]([cH:38][cH:39]1)[N:28]([CH2:34][CH2:35][O:36][CH3:37])[C:29](=[O:33])[CH2:30][CH2:31][CH2:32]2>>[c:2]1([NH:23][c:24]2[cH:25][c:26]3[c:27]([cH:38][cH:39]2)[N:28]([CH2:34][CH2:35][O:36][CH3:37])[C:29](=[O:33])[CH2:30][CH2:31][CH2:32]3)[n:3][cH:4][c:5]([C:19]([F:20])([F:21])[F:22])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1

Participants

3

Reactant 2

HCID 434466107-Amino-1-(2-methoxyethyl)-1,3,4,5-tetrahydrobenzo[b]azepin-2-oneHCID 866338612-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)-N-methylbenzamide

Product 1

HCID 668305202-{2-[1-(2-Methoxyethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino]-5-trifluoromethylpyrimidin-4-ylamino]-N-methylbenzamide

Sources & evidence

ORD record
ord-5127d63b6e0b4f7e9cdf88bb41a253da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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