1,2-Dichloroethane → N-[2-(4-hydroxymethyl-phenyl)-ethyl]-2-[3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-pyrazin-2-yl]-acetamide

HRID 696266Notes

Reaction equation

HRID 696266 reaction equation
[CH2:22]([Cl:23])[CH2:24][Cl:25].[Cl:47][CH2:48][Cl:49].[NH2:36][CH2:37][CH2:38][c:39]1[cH:40][cH:41][c:42]([CH2:45][OH:46])[cH:43][cH:44]1.[O:1]=[C:2]1[CH:3]([CH2:18][C:19](=[O:20])[OH:21])[N:4]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[CH:5]=[CH:6][NH:7]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[O:1]=[C:2]1[CH:3]([CH2:18][C:19](=[O:20])[NH:36][CH2:37][CH2:38][c:39]2[cH:40][cH:41][c:42]([CH2:45][OH:46])[cH:43][cH:44]2)[N:4]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[CH:5]=[CH:6][NH:7]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 12671358[4-(2-Aminoethyl)phenyl]methanolHCID 686795602-(3-Oxo-1-tosyl-1,2,3,4-tetrahydropyrazin-2-yl)acetic acid

Product 1

HCID 68678687N-[2-(4-hydroxymethyl-phenyl)-ethyl]-2-[3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-pyrazin-2-yl]-acetamide

Sources & evidence

ORD record
ord-8bdbcd9757024e42856affbeff2d43b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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