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1,2-Dichloroethane → 4-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-N-(2-hydroxy-ethyl)-benzamide

HRID 2154541
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HRID 2154541 반응식
[CH2:1]([CH3:2])[N:3]([CH2:4][CH3:5])[CH2:6][c:7]1[c:8]([CH3:26])[cH:9][c:10](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]3)[n:15][o:16]2)[s:11]1.[CH2:37]([Cl:38])[CH2:39][Cl:40].[ClH:41].[NH2:42][CH2:43][CH2:44][OH:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH3:5])[CH2:6][c:7]1[c:8]([CH3:26])[cH:9][c:10](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[NH:42][CH2:43][CH2:44][OH:45])[cH:24][cH:25]3)[n:15][o:16]2)[s:11]1
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반응물 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 700EthanolamineHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 672653784-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-benzoic acid

생성물 1

HCID 67265634
4-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-N-(2-hydroxy-ethyl)-benzamide

출처 및 근거

ORD 기록
ord-819f9d6af0d74c689fbdd3d6892c2f97
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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