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Sodium Ion → 3-[4-(2-Ethoxy-3,5-di-iso-propylphenyl)-benzo[b]thien-2-yl]-but-2-enoic acid ethyl ester

HRID 1126156
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반응식

HRID 1126156 반응식
[C:17]([CH3:18])(=[O:19])[c:20]1[cH:21][c:22]2[c:23]([s:24]1)[cH:25][cH:26][cH:27][c:28]2-[c:29]1[c:30]([O:41][CH2:42][CH3:43])[c:31]([CH:38]([CH3:39])[CH3:40])[cH:32][c:33]([CH:35]([CH3:36])[CH3:37])[cH:34]1.[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH2:8][P:9]([O:10][CH2:11][CH3:12])([O:13][CH2:14][CH3:15])=[O:16].[H-:2].[Na+:1].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44]>>[CH3:3][CH2:4][O:5][C:6](=[O:7])[CH:8]=[C:17]([CH3:18])[c:20]1[cH:21][c:22]2[c:23]([s:24]1)[cH:25][cH:26][cH:27][c:28]2-[c:29]1[c:30]([O:41][CH2:42][CH3:43])[c:31]([CH:38]([CH3:39])[CH3:40])[cH:32][c:33]([CH:35]([CH3:36])[CH3:37])[cH:34]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 13345Triethyl phosphonoacetateHCID 166653HydrideHCID 179527472-Acetyl-4-(2-ethoxy-3,5-di-iso-propylphenyl)-benzo[b]thiophene

생성물 1

HCID 69217853
3-[4-(2-Ethoxy-3,5-di-iso-propylphenyl)-benzo[b]thien-2-yl]-but-2-enoic acid ethyl ester

출처 및 근거

ORD 기록
ord-33f19f3a1c4f4f0c8d1950ced1d70393
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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