Acetic Acid → HCID 178483052, 화합물

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[CH3:39][C:40](=[O:41])[OH:42].[Cl:1][c:2]1[n:3][c:4]([N:31]([CH2:32][c:33]2[s:34][cH:35][cH:36][n:37]2)[CH3:38])[c:5]([F:30])[c:6]([NH:8][NH:9][C:10]([CH:11]([CH2:12][N:13]([CH:14]=[O:15])[O:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][O:22]2)[CH2:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)=[O:29])[n:7]1.[OH2:43]>>[Cl:1][c:2]1[n:3][c:4]([N:31]([CH2:32][c:33]2[s:34][cH:35][cH:36][n:37]2)[CH3:38])[c:5]([F:30])[c:6]([NH:8][NH:9][C:10]([CH:11]([CH2:12][N:13]([CH:14]=[O:15])[OH:16])[CH2:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)=[O:29])[n:7]1

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 962Water

HCID 178483051HCID 178483051, 화합물

생성물 1

HCID 178483052HCID 178483052, 화합물

출처 및 근거

ORD 기록: ord-7af62578a2024b779973688979f4cda3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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