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Methanol → 6-[2-(3-Chloro-phenyl)-3-cyclopentyl-propionylamino]nicotinic acid

HRID 308676
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HRID 308676 반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]2)=[O:26])[cH:8][cH:9]1)=[O:27].[CH3:30][OH:31].[Na+:29].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:28].[OH2:32]>>[O:2]=[C:3]([c:4]1[cH:5][n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]2)=[O:26])[cH:8][cH:9]1)[OH:27]
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반응물 6

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 545579716-[2-(3-Chloro-phenyl)-3-cyclopentyl-propionylamino]-nicotinic acid methyl ester

생성물 1

HCID 223151506-[2-(3-Chloro-phenyl)-3-cyclopentyl-propionylamino]nicotinic acid

출처 및 근거

ORD 기록
ord-ff7243f086f44ec2877dbcab2c8d636b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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