Methanol → 5-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethylisoxazole-3-carboxamide

반응식

[CH2:1]([O:2][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:11]2[c:12]([O:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:13][c:14]([O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:15]([CH:17]([CH3:18])[CH3:19])[cH:16]2)[cH:10]1)[CH3:3].[CH3:36][CH2:37][NH2:38].[CH3:39][OH:40]>>[C:4](=[O:5])([c:6]1[n:7][o:8][c:9](-[c:11]2[c:12]([O:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:13][c:14]([O:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:15]([CH:17]([CH3:18])[CH3:19])[cH:16]2)[cH:10]1)[NH:38][CH2:37][CH3:36]

참가 물질

반응물 3

HCID 887Methanol

HCID 6341Ethylamine

HCID 24773451Ethyl 5-(2,4-bis(benzyloxy)-5-isopropylphenyl)isoxazole-3-carboxylate

생성물 1

HCID 247734525-(2,4-bis(benzyloxy)-5-isopropylphenyl)-N-ethylisoxazole-3-carboxamide

출처 및 근거

ORD 기록: ord-ab701f9417bd4a7c819a15fc78b2abb1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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