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Ethanol → 1-{4'-[4-(3-Hydroxy-propyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

HRID 115438
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HRID 115438 반응식
[BH4-:47].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:54][CH2:55][OH:56].[Cl:39][C:40]([O:41][CH2:42][CH:43]([CH3:44])[CH3:45])=[O:46].[Na+:48].[OH2:57]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([CH2:27][CH2:28][CH2:29][OH:30])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 28123BorohydrideHCID 62365Isobutyl chloroformate
HCID 66577268
1-{4'-[4-(2-Carboxy-ethyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

생성물 1

HCID 665772191-{4'-[4-(3-Hydroxy-propyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-d85ff5f691214c4d84ea26f573161c59
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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