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Dimethylformamide → tert-butyl N-[2-(2,6-difluorophenyl)-4-[[1-methyl-5-[4-(2,2,2-trifluoroethylamino)azepan-1-yl]pyrazol-4-yl]carbamoyl]-1,3-thiazol-5-yl]carbamate

HRID 125139
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HRID 125139 반응식
[CH2:61]([Cl:62])[Cl:63].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[F:39][C:40]([F:41])([F:42])[S:43]([O:44][CH2:45][C:46]([F:47])([F:48])[F:49])(=[O:50])=[O:51].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([c:9]2[c:10]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:31]4[c:32]([F:38])[cH:33][cH:34][cH:35][c:36]4[F:37])[s:21][c:22]3[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:11][n:12][n:13]2[CH3:14])[CH2:6][CH2:7][CH2:8]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([c:9]2[c:10]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:31]4[c:32]([F:38])[cH:33][cH:34][cH:35][c:36]4[F:37])[s:21][c:22]3[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:11][n:12][n:13]2[CH3:14])[CH2:6][CH2:7][CH2:8]1)[CH2:45][C:46]([F:47])([F:48])[F:49]
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반응물 5

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 81531DiisopropylethylamineHCID 67437388tert-butyl N-[4-[[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamate

생성물 1

HCID 89456978
tert-butyl N-[2-(2,6-difluorophenyl)-4-[[1-methyl-5-[4-(2,2,2-trifluoroethylamino)azepan-1-yl]pyrazol-4-yl]carbamoyl]-1,3-thiazol-5-yl]carbamate

출처 및 근거

ORD 기록
ord-461c432353b84e78bc3ecbf8a8021146
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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