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Potassium Cation → 4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid

HRID 1124242
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반응식

HRID 1124242 반응식
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:43][OH:44].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[cH:9][cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:17](=[O:18])[NH:19][C:20]4([c:23]5[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]5)[CH2:21][CH2:22]4)[c:16]23)[cH:33][cH:34]1)([F:35])[F:36].[K+:46].[OH-:45].[OH2:37]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[cH:9][cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:17](=[O:18])[NH:19][C:20]4([c:23]5[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:31][cH:32]5)[CH2:21][CH2:22]4)[c:16]23)[cH:33][cH:34]1)([F:35])[F:36]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 51051182Methyl 4-{1-[({1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl}carbonyl)amino]cyclopropyl}benzoate

생성물 1

HCID 25003075
4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid

출처 및 근거

ORD 기록
ord-da6c0bb97ccc49df874919ab2eb5d5f7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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