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Benzylamine → 1-{4'-[4-(3-Benzylamino-2-hydroxy-propyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

HRID 1204294
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반응식

HRID 1204294 반응식
[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][CH:28]5[O:29][CH2:30]5)[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[NH2:31][CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[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][CH:28]([OH:29])[CH2:30][NH:31][CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1
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참가 물질

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반응물 3

HCID 7504BenzylamineHCID 13387N-methyl-2-pyrrolidoneHCID 866524011-[4'-(3-Methyl-4-oxiranylmethyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester

생성물 1

HCID 665773331-{4'-[4-(3-Benzylamino-2-hydroxy-propyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-1fda7006beb34552907c5049f0b79729
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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