Ethanol → Methyl 2-benzyloxy-5-[2-(1,1-dimethyl-3-[1,2,4]triazol-4-yl-propylimino)-acetyl]-benzoate

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 68858509Methyl benzyloxy-5-(2-ethoxy-2-hydroxy-acetyl)-benzoate

HCID 688797201,1-Dimethyl-3-[1,2,4]triazol-4-yl-propylamine

생성물 1

HCID 68877088Methyl 2-benzyloxy-5-[2-(1,1-dimethyl-3-[1,2,4]triazol-4-yl-propylimino)-acetyl]-benzoate

출처 및 근거

ORD 기록: ord-42c85ac8f4c844e98044a2e7b40c652a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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