Ethanol → methyl 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1H-indole-2-carboxylate

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:42][OH:43])[cH:11][c:12]([CH:15]([CH2:16][NH:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]3[cH:23][c:24]([C:29](=[O:30])[O:31][CH3:32])[nH:25][c:26]3[cH:27][cH:28]2)[CH3:33])[O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[cH:13][cH:14]1.[CH3:46][CH2:47][OH:48].[H:44][H:45]>>[OH:8][c:9]1[c:10]([CH2:42][OH:43])[cH:11][c:12]([CH:15]([CH2:16][NH:17][CH:18]([CH2:19][c:20]2[cH:21][c:22]3[cH:23][c:24]([C:29](=[O:30])[O:31][CH3:32])[nH:25][c:26]3[cH:27][cH:28]2)[CH3:33])[O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[cH:13][cH:14]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 178418361HCID 178418361, 화합물

HCID 178496919HCID 178496919, 화합물

생성물 1

HCID 20751546methyl 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1H-indole-2-carboxylate

출처 및 근거

ORD 기록: ord-f15baa19003140bdaebbad61c0af8dee
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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