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Potassium Cation → 4-{2-Methoxy-4-[3-(2-morpholin-4-yl-ethyl)-2,4-dioxo-thiazolidin-5-ylidenemethyl]-phenoxy}-3-trifluoromethyl-benzonitrile

HRID 2139598
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HRID 2139598 반응식
[Al:45].[Cl:30][CH2:31][CH2:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[O:1]=[C:2]1[S:3][C:4](=[CH:8][c:9]2[cH:10][c:11]([O:28][CH3:29])[c:12]([O:13][c:14]3[c:15]([C:22]([F:23])([F:24])[F:25])[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]3)[cH:26][cH:27]2)[C:5](=[O:7])[NH:6]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[O:1]=[C:2]1[S:3][C:4](=[CH:8][c:9]2[cH:10][c:11]([O:28][CH3:29])[c:12]([O:13][c:14]3[c:15]([C:22]([F:23])([F:24])[F:25])[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21]3)[cH:26][cH:27]2)[C:5](=[O:7])[N:6]1[CH2:31][CH2:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 767274-(2-Chloroethyl)morpholineHCID 5359268AluminumHCID 752532344-[4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-2-methoxy-phenoxy]-3-trifluoromethyl-benzonitrile

생성물 1

HCID 72577108
4-{2-Methoxy-4-[3-(2-morpholin-4-yl-ethyl)-2,4-dioxo-thiazolidin-5-ylidenemethyl]-phenoxy}-3-trifluoromethyl-benzonitrile

출처 및 근거

ORD 기록
ord-548c2cc4186949e8b9208addcf821529
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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