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Hydroxide → 4-(2-{3-[4-(3,4-Dichloro-phenoxy)-piperidin-1-yl]-2-hydroxy-propoxy}-phenylcarbamoyl)-3-methyl-butyric acid

HRID 134971
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반응식

HRID 134971 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:28][CH:29]1[CH2:30][C:31](=[O:32])[O:33][C:34](=[O:36])[CH2:35]1.[Li+:38].[NH2:1][c:2]1[c:3]([O:4][CH2:5][CH:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[cH:16][c:17]([Cl:22])[c:18]([Cl:21])[cH:19][cH:20]3)[CH2:12][CH2:13]2)[OH:23])[cH:24][cH:25][cH:26][cH:27]1.[OH-:37].[OH2:44].[OH2:45]>>[NH:1]([c:2]1[c:3]([O:4][CH2:5][CH:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[cH:16][c:17]([Cl:22])[c:18]([Cl:21])[cH:19][cH:20]3)[CH2:12][CH2:13]2)[OH:23])[cH:24][cH:25][cH:26][cH:27]1)[C:34]([CH2:35][CH:29]([CH3:28])[CH2:30][C:31](=[O:32])[OH:33])=[O:36]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 778283-Methylglutaric anhydrideHCID 98699361-(2-Aminophenoxy)-3-[4-(3,4-dichlorophenoxy)-1-piperidinyl]-2-propanol

생성물 1

HCID 10119620
4-(2-{3-[4-(3,4-Dichloro-phenoxy)-piperidin-1-yl]-2-hydroxy-propoxy}-phenylcarbamoyl)-3-methyl-butyric acid

출처 및 근거

ORD 기록
ord-074d926264354e738e7043cef76519d5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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