Acetonitrile → 4-({1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HRID 177439

반응식

HRID 177439 반응식
[CH3:37][C:38]#[N:39].[Cl:19][c:20]1[c:21]([N:30]2[CH2:31][CH2:32][CH:33]([NH2:36])[CH2:34][CH2:35]2)[n:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1.[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:2]1([NH:36][CH:33]2[CH2:32][CH2:31][N:30]([c:21]3[c:20]([Cl:19])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23][n:22]3)[CH2:35][CH2:34]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

4

반응물 3

HCID 6342AcetonitrileHCID 27961851-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amineHCID 672431604-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

생성물 1

HCID 115773414-({1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amino)-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록
ord-53273eee3e5c4e98ba8c056c484c1cfa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…