Acetyl-8-amino-2,3,5,6-tetrahydro-1H-benzo[b][1,5]diazocin-4-one → 2-[2-(1-Acetyl-4-oxo-1,2,3,4,5,6-hexahydro-benzo[b][1,5]diazocin-8-ylamino)-5-chloro-pyrimidin-4-ylamino]-N-ethyl-3-fluoro-benzamide

HRID 1223142Notes

Reaction equation

HRID 1223142 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[c:5]2[c:6]([cH:13][c:14]([NH2:17])[cH:15][cH:16]2)[CH2:7][NH:8][C:9](=[O:12])[CH2:10][CH2:11]1.[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:38])[c:23]([NH:25][c:26]2[c:27]([C:28](=[O:29])[NH:30][CH2:31][CH3:32])[cH:33][cH:34][cH:35][c:36]2[F:37])[n:24]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[c:5]2[c:6]([cH:13][c:14]([NH:17][c:19]3[n:20][cH:21][c:22]([Cl:38])[c:23]([NH:25][c:26]4[c:27]([C:28](=[O:29])[NH:30][CH2:31][CH3:32])[cH:33][cH:34][cH:35][c:36]4[F:37])[n:24]3)[cH:15][cH:16]2)[CH2:7][NH:8][C:9](=[O:12])[CH2:10][CH2:11]1

Participants

3

Reactant 2

HCID 67263959Acetyl-8-amino-2,3,5,6-tetrahydro-1H-benzo[b][1,5]diazocin-4-oneHCID 866339272-(2,5-Dichloro-pyrimidin-4-ylamino)-N-ethyl-3-fluoro-benzamide

Product 1

HCID 668300552-[2-(1-Acetyl-4-oxo-1,2,3,4,5,6-hexahydro-benzo[b][1,5]diazocin-8-ylamino)-5-chloro-pyrimidin-4-ylamino]-N-ethyl-3-fluoro-benzamide

Sources & evidence

ORD record
ord-59163bfe701f4ec9aa7e7607e5120ea2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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