Ethanol → 5-acryloyl-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

HRID 142386

Reaction equation

HRID 142386 reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][CH2:30][OH:31].[Cl:1][CH2:2][CH2:3][C:4](=[O:5])[N:6]1[c:7]2[c:8]([cH:18][cH:19][cH:20][cH:21]2)[NH:9][C:10](=[O:17])[c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[CH2:2]=[CH:3][C:4](=[O:5])[N:6]1[c:7]2[c:8]([cH:18][cH:19][cH:20][cH:21]2)[NH:9][C:10](=[O:17])[c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

4

Reactant 3

HCID 702EthanolHCID 8471TriethylamineHCID 128346825-(3-chloro-propionyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

Product 1

HCID 128347105-acryloyl-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

Sources & evidence

ORD record
ord-9e9c8d98b2f54e00845130efc949ac4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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