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Methanol → 3-{3,5-Dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-indol-2-yl]-phenyl}-propionic acid

HRID 1222432
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HRID 1222432 반응식
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH3:35])[c:9](-[c:13]2[nH:14][c:15]3[cH:16][c:17]([C:22]([NH:23][c:24]4[n:25][c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]5[cH:32][cH:33]4)=[O:34])[cH:18][cH:19][c:20]3[cH:21]2)[c:10]([CH3:12])[cH:11]1)=[O:36].[CH3:45][OH:46].[Li+:39].[OH-:38].[OH2:37].[OH2:47]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH3:35])[c:9](-[c:13]2[nH:14][c:15]3[cH:16][c:17]([C:22]([NH:23][c:24]4[n:25][c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]5[cH:32][cH:33]4)=[O:34])[cH:18][cH:19][c:20]3[cH:21]2)[c:10]([CH3:12])[cH:11]1)[OH:36]
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반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 669656943-{3,5-dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-indol-2-yl]-phenyl}-propionic acid methyl ester

생성물 1

HCID 66965039
3-{3,5-Dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-indol-2-yl]-phenyl}-propionic acid

출처 및 근거

ORD 기록
ord-72bcff79654e4b468b93f3a061311f87
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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