1-Isopropyl-7-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 7-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-isopropyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HRID 308491Notes

Reaction equation

HRID 308491 reaction equation
[CH:1]([CH3:2])([CH3:3])[N:4]1[c:5]2[c:6]([cH:12][c:13]([N+:16]([O-:17])=[O:18])[cH:14][cH:15]2)[CH2:7][CH2:8][CH2:9][C:10]1=[O:11].[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>>[CH:1]([CH3:2])([CH3:3])[N:4]1[c:5]2[c:6]([cH:12][c:13]([NH:16][c:20]3[n:21][cH:22][c:23]([Cl:41])[c:24]([NH:26][c:27]4[c:28]([O:39][CH3:40])[cH:29][c:30]([N:33]5[CH2:34][CH2:35][O:36][CH2:37][CH2:38]5)[cH:31][cH:32]4)[n:25]3)[cH:14][cH:15]2)[CH2:7][CH2:8][CH2:9][C:10]1=[O:11]

Participants

3

Reactant 2

HCID 672639191-Isopropyl-7-nitro-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 668301807-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-isopropyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Sources & evidence

ORD record
ord-b65bb235989548cfb7e45a5571464817
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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