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Dichloromethane → N-(tert-Butyl)-3-((2-chloro-5-methylpyrimidin-4-yl)amino)benzenesulfonamide

HRID 1567377
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HRID 1567377 반응식
[Br:10][c:11]1[cH:12][c:13]([S:17](=[O:18])(=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:14][cH:15][cH:16]1.[C:25](=[O:26])([O-:27])[O-:28].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:9])[c:6]([NH2:8])[n:7]1.[Cl:37][CH2:38][Cl:39].[Cs+:29].[Cs+:30].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:9])[c:6]([NH:8][c:11]2[cH:12][c:13]([S:17](=[O:18])(=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:14][cH:15][cH:16]2)[n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2회HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회HCID 43021752-Chloro-5-methylpyrimidin-4-amine
HCID 4820926
3-Bromo-N-tert-butylbenzene-1-sulfonamide

생성물 1

HCID 53401091N-(tert-Butyl)-3-((2-chloro-5-methylpyrimidin-4-yl)amino)benzenesulfonamide

출처 및 근거

ORD 기록
ord-bbfb1fdbf2e143d08a994eab060be36b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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