7-Amino-1-methyl-1,3,4,5-tetrahydro-benzo[B]azepin-2-one → 2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-(2-cyano-ethyl)-benzamide

HRID 2140535Notes

Reaction equation

HRID 2140535 reaction equation
[C:15](#[N:16])[CH2:17][CH2:18][NH:19][C:20]([c:21]1[c:22]([NH:27][c:28]2[n:29][c:30]([Cl:35])[n:31][cH:32][c:33]2[Cl:34])[cH:23][cH:24][cH:25][cH:26]1)=[O:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:14]1)[CH2:7][CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:14]1)[CH2:7][CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12])[c:30]1[n:29][c:28]([NH:27][c:22]2[c:21]([C:20]([NH:19][CH2:18][CH2:17][C:15]#[N:16])=[O:36])[cH:26][cH:25][cH:24][cH:23]2)[c:33]([Cl:34])[cH:32][n:31]1

Participants

3

Reactant 2

HCID 197602587-Amino-1-methyl-1,3,4,5-tetrahydro-benzo[B]azepin-2-oneHCID 86633943HCID 86633943, compound

Product 1

HCID 668300032-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-(2-cyano-ethyl)-benzamide

Sources & evidence

ORD record
ord-ef592b2db4b34aaab3772dec21265e17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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