Ethanol → HCID 69021492, 화합물

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 8857Ethyl Acetate

HCID 69019975HCID 69019975, 화합물

생성물 1

HCID 69021492HCID 69021492, 화합물

출처 및 근거

ORD 기록: ord-0ff6ae733c774daf93e8c4df652758dc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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