1,4-Diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamine → 3-[[5-chloro-2-[(1,4-diethyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

HRID 136451Notes

Reaction equation

HRID 136451 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][CH:25]2[CH:26]([C:32](=[O:33])[NH2:34])[CH:27]3[CH:28]=[CH:29][CH:30]2[CH2:31]3)[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][CH:25]3[CH:26]([C:32](=[O:33])[NH2:34])[CH:27]4[CH:28]=[CH:29][CH:30]3[CH2:31]4)[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 764469493-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

Product 1

HCID 672638973-[[5-chloro-2-[(1,4-diethyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Sources & evidence

ORD record
ord-5ca469c96f9f495094263e87a7d5b0f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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