1,2-Dichloroethane → N-[(3-ethyl-1-benzofuran-2-yl)methyl]-N-methyl-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

HRID 1239321Notes

Reaction equation

HRID 1239321 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:12][NH:13][CH3:14])[o:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[CH2:43]([Cl:44])[CH2:45][Cl:46].[ClH:15].[O:16]=[C:17]1[CH2:18][NH:19][CH2:20][c:21]2[c:22]([n:24][cH:25][c:26]([CH:28]=[CH:29][C:30](=[O:31])[OH:32])[cH:27]2)[NH:23]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:12][N:13]([CH3:14])[C:30]([CH:29]=[CH:28][c:26]2[cH:25][n:24][c:22]3[c:21]([cH:27]2)[CH2:20][NH:19][CH2:18][C:17](=[O:16])[NH:23]3)=[O:32])[o:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 59277558(3-Ethyl-benzofuran-2-ylmethyl)methylamineHCID 669665103-(2-Oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enoic acid

Product 1

HCID 73300993N-[(3-ethyl-1-benzofuran-2-yl)methyl]-N-methyl-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

Sources & evidence

ORD record
ord-8af66f27128e41f291478da9402743cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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