Phenol → HCID 13936027, 화합물

반응식

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

참가 물질

반응물 3

HCID 996Phenol

HCID 6342Acetonitrile

HCID 139360302-(3-chlorobenzoyloxy)-5-methyl-6-(4-pyridinyl)-2H-1,4-thiazin-3(4H)-one

생성물 1

HCID 13936027HCID 13936027, 화합물

출처 및 근거

ORD 기록: ord-5901fca1a32c44258ea290093f8fc7d0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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