Acetonitrile → HCID 11538551, 화합물

HRID 169256

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 83242Benzenebutanamine

HCID 672431604-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

생성물 1

HCID 11538551HCID 11538551, 화합물

출처 및 근거

ORD 기록: ord-688a2b7bfa1e4ef3ab7053d8937a7428
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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