Acetone → HCID 178510467, 화합물

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[CH3:38][C:39](=[O:40])[CH3:41].[NH2:1][c:2]1[n:3][c:4]([S:18][CH2:19][c:20]2[n:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[s:23][cH:24]2)[c:5]([C:16]#[N:17])[c:6](-[c:10]2[n:11][c:12]([Br:15])[s:13][cH:14]2)[c:7]1[C:8]#[N:9].[NH2:32][CH2:33][CH:34]([CH2:35][OH:36])[OH:37]>>[NH2:1][c:2]1[n:3][c:4]([S:18][CH2:19][c:20]2[n:21][c:22](-[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[s:23][cH:24]2)[c:5]([C:16]#[N:17])[c:6](-[c:10]2[n:11][c:12]([NH:32][CH2:33][CH:34]([CH2:35][OH:36])[OH:37])[s:13][cH:14]2)[c:7]1[C:8]#[N:9]

참가 물질

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HCID 180Acetone

HCID 735613-Amino-1,2-propanediol

HCID 668979732-Amino-4-(2-bromo-1,3-thiazol-4-yl)-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)pyridine-3,5-dicarbonitrile

생성물 1

HCID 178510467HCID 178510467, 화합물

출처 및 근거

ORD 기록: ord-c36ee281d1ba436aa0d30a070bad33d1
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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