Benzene → HCID 53825218, 화합물

HRID 1227737노트

반응식

HRID 1227737 반응식
[C:1](=[O:2])([O:3][CH3:4])[CH2:5][O:6][c:7]1[cH:8][c:9]([CH2:13][C:14]([CH3:15])=[O:16])[cH:10][cH:11][cH:12]1.[OH:17][CH:18]([CH2:19][NH2:20])[c:21]1[cH:22][c:23]([CH2:28][OH:29])[c:24]([OH:27])[cH:25][cH:26]1.[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[C:1](=[O:2])([O:3][CH3:4])[CH2:5][O:6][c:7]1[cH:8][c:9]([CH2:13][CH:14]([CH3:15])[NH:20][CH2:19][CH:18]([OH:17])[c:21]2[cH:22][c:23]([CH2:28][OH:29])[c:24]([OH:27])[cH:25][cH:26]2)[cH:10][cH:11][cH:12]1

참가 물질

4

반응물 3

HCID 241BenzeneHCID 129448344-(2-Amino-1-hydroxyethyl)-2-(hydroxymethyl)phenolHCID 20533273Methyl [3-(2-oxopropyl)phenoxy]acetate

생성물 1

HCID 53825218HCID 53825218, 화합물

출처 및 근거

ORD 기록
ord-56fd314d1aff45d39594a765cb8b6eb7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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