Acetic Acid → HCID 5328872, 화합물

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 7918Acetic Anhydride

HCID 5328848HCID 5328848, 화합물

생성물 1

HCID 5328872HCID 5328872, 화합물

출처 및 근거

ORD 기록: ord-bd0f97d490cf43489572da7fa71c920f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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