HRID955081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID11745953

未命名化合物

结构：NC1CC=C(c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)CC1

HCID135440363

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NC1CC=C(c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)CC1

HCID135451017

N-(4-{3-[4-(2,3-Difluoro-phenyl)-isoxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-cyclohex-3-enyl)-methanesulfonamide

C23H20F2N4O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2be157be1c254bc29f3c857d60e3a9e5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[F:1][c:2]1[c:3](-[c:9]2[cH:10][n:11][o:12][c:13]2-[c:14]2[cH:15][nH:16][c:17]3[n:18][cH:19][c:20]([C:23]4=[CH:24][CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]4)[cH:21][c:22]23)[cH:4][cH:5][cH:6][c:7]1[F:8].[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[n:30]1([O:39][S:40](=[O:31])(=[O:41])[CH3:43])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:42]1>>[F:1][c:2]1[c:3](-[c:9]2[cH:10][n:11][o:12][c:13]2-[c:14]2[cH:15][nH:16][c:17]3[n:18][cH:19][c:20]([C:23]4=[CH:24][CH2:25][CH:26]([NH:29][S:40](=[O:39])(=[O:41])[CH3:43])[CH2:27][CH2:28]4)[cH:21][c:22]23)[cH:4][cH:5][cH:6][c:7]1[F:8]