1,4-Diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamine → {2-[5-Chloro-2-(1,4-diethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamino)-pyrimidin-4-ylamino]-phenoxy}-acetonitrile

HRID 117039Notes

Reaction equation

HRID 117039 reaction equation
[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([CH2:15][CH3:16])[CH2:7][c:8]2[c:9]1[cH:10][c:11]([NH2:14])[cH:12][cH:13]2.[Cl:17][c:18]1[n:19][cH:20][c:21]([Cl:35])[c:22]([NH:24][c:25]2[c:26]([O:27][CH2:28][C:29]#[N:30])[cH:31][cH:32][cH:33][cH:34]2)[n:23]1>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([CH2:15][CH3:16])[CH2:7][c:8]2[c:9]1[cH:10][c:11]([NH:14][c:18]1[n:19][cH:20][c:21]([Cl:35])[c:22]([NH:24][c:25]3[c:26]([O:27][CH2:28][C:29]#[N:30])[cH:31][cH:32][cH:33][cH:34]3)[n:23]1)[cH:12][cH:13]2

Participants

3

Reactant 2

HCID 672642811,4-Diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamineHCID 86633910[2-(2,5-Dichloropyrimidin-4-ylamino)-phenoxy]acetonitrile

Product 1

HCID 66830610{2-[5-Chloro-2-(1,4-diethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamino)-pyrimidin-4-ylamino]-phenoxy}-acetonitrile

Sources & evidence

ORD record
ord-3a9758f335cb4a98afd7096e20222837
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…