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Methanol → 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid

HRID 1207507
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HRID 1207507 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:46][OH:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:29][C:30]([C:31](=[O:32])[O:33][CH3:34])([CH3:35])[CH3:36])[c:9]([S:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][cH:20][cH:21][cH:22][cH:23]4)[cH:13][cH:14][c:15]23)[cH:37][cH:38]1.[Li+:45].[OH-:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:29][C:30]([C:31](=[O:32])[OH:33])([CH3:35])[CH3:36])[c:9]([S:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][cH:20][cH:21][cH:22][cH:23]4)[cH:13][cH:14][c:15]23)[cH:37][cH:38]1
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반응물 5

HCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 19098332Methyl 3-[1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(pyrid-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropionate

생성물 1

HCID 98286303-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid

출처 및 근거

ORD 기록
ord-e9d40a58743b4d8391f3eda9add227c3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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