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Chloride → 3-[3'(3",4",5"-Trimethoxyphenyl)propionyl]-2-(4'methoxyphenyl)-6-methoxybenzo[b]thiophene

HRID 305248
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HRID 305248 반응식
[Al+3:38].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]3[c:12]([s:13]2)[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]3)[cH:7][cH:8]1.[CH3:20][O:21][c:22]1[cH:23][c:24]([CH2:32][CH2:33][C:34](=[O:35])[Cl:36])[cH:25][c:26]([O:30][CH3:31])[c:27]1[O:28][CH3:29].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl-:37].[Cl-:39].[Cl-:40].[Cl:42][CH2:43][Cl:44].[OH2:41]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:34]([CH2:33][CH2:32][c:24]3[cH:23][c:22]([O:21][CH3:20])[c:27]([O:28][CH3:29])[c:26]([O:30][CH3:31])[cH:25]3)=[O:35])[c:11]3[c:12]([s:13]2)[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]3)[cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 312Chloride3회HCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 8509416-Methoxy-2-(4-methoxyphenyl)benzo[b]thiopheneHCID 146500973-(3',4',5'-Trimethoxyphenyl)propionyl chloride

생성물 1

HCID 100743963-[3'(3",4",5"-Trimethoxyphenyl)propionyl]-2-(4'methoxyphenyl)-6-methoxybenzo[b]thiophene

출처 및 근거

ORD 기록
ord-d328f1343ac242e58ae75db23dcbc980
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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