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]-phenoxy}-acetonitrile

HRID 302894Notes

Reaction equation

HRID 302894 reaction equation
[C:20]([CH3:21])(=[O:22])[N:23]1[c:24]2[c:25]([cH:32][c:33]([NH2:36])[cH:34][cH:35]2)[CH2:26][NH:27][C:28](=[O:31])[CH2:29][CH2:30]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][c:9]2[c:10]([O:11][CH2:12][C:13]#[N:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1>>[c:2]1([NH:36][c:33]2[cH:32][c:25]3[c:24]([cH:35][cH:34]2)[N:23]([C:20]([CH3:21])=[O:22])[CH2:30][CH2:29][C:28](=[O:31])[NH:27][CH2:26]3)[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][c:9]2[c:10]([O:11][CH2:12][C:13]#[N:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1

Participants

3

Reactant 2

HCID 67263959Acetyl-8-amino-2,3,5,6-tetrahydro-1H-benzo[b][1,5]diazocin-4-oneHCID 86633910[2-(2,5-Dichloropyrimidin-4-ylamino)-phenoxy]acetonitrile

Product 1

HCID 66830469{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]-phenoxy}-acetonitrile

Sources & evidence

ORD record
ord-3920883d083c448b9f8b3a9400f8afc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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