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Dimethylformamide → Tert-butyl 3-methyl-2-[[4-[4-[[5-(trifluoromethyl)-1,3-benzothiazole-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]butanoate

HRID 1206640
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HRID 1206640 반응식
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([CH:24]([CH:25]([CH3:26])[CH3:27])[NH:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35](-[c:38]2[cH:39][cH:40][c:41]([NH2:44])[cH:42][cH:43]2)[cH:36][cH:37]1)=[O:45].[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][c:10]([C:12](=[O:13])[OH:14])[s:11]2)[cH:15]1)([F:16])[F:17].[Na:1].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][P+:55]([N:56]([CH3:57])[CH3:58])([N:59]([CH3:60])[CH3:61])[N:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][c:10]([C:12](=[O:14])[NH:44][c:41]3[cH:40][cH:39][c:38](-[c:35]4[cH:34][cH:33][c:32]([S:29]([NH:28][CH:24]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:45])[CH:25]([CH3:26])[CH3:27])(=[O:30])=[O:31])[cH:37][cH:36]4)[cH:43][cH:42]3)[s:11]2)[cH:15]1)([F:16])[F:17]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 5360545SodiumHCID 68711776Tert-butyl 2-[[4-(4-aminophenyl)phenyl]sulfonylamino]-3-methylbutanoateHCID 687139205-(Trifluoromethyl)-1,3-benzothiazole-2-carboxylic acid

생성물 1

HCID 68714732Tert-butyl 3-methyl-2-[[4-[4-[[5-(trifluoromethyl)-1,3-benzothiazole-2-carbonyl]amino]phenyl]phenyl]sulfonylamino]butanoate

출처 및 근거

ORD 기록
ord-e94948a430c8468dbda54c28c9626c75
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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