HRID150943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734271

2,6-Difluorobenzenesulfonyl chloride

C6H3ClF2O2S

结构：COc1c(N)cccc1-c1nc(N2CCOCC2)sc1-c1ccnc(Cl)n1

HCID57989795

未命名化合物

结构：CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1

HCID57990030

未命名化合物

PRODUCTS

生成物

结构：COc1c(NS(=O)(=O)c2c(F)cccc2F)cccc1-c1nc(N2CCOCC2)sc1-c1ccnc(Cl)n1

HCID53487989

N-{3-[5-(2-Chloropyrimidin-4-yl)-2-(morpholin-4-yl)-1,3-thiazol-4-yl]-2-methoxyphenyl}-2,6-difluorobenzene-1-sulfonamide

C24H20ClF2N5O4S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2c79e43554945148e775e1da73f8cad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Cl:1][c:2]1[n:3][c:4](-[c:5]2[s:6][c:7]([CH:8]([CH3:9])[CH3:10])[n:11][c:12]2-[c:13]2[cH:14][c:15]([NH:16][S:23](=[O:24])(=[O:25])[c:26]3[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]3[F:32])[cH:17][cH:18][cH:19]2)[cH:20][cH:21][n:22]1.[Cl:34][c:35]1[n:36][cH:37][cH:38][c:39](-[c:41]2[c:42](-[c:52]3[c:53]([O:59][CH3:60])[c:54]([NH2:55])[cH:56][cH:57][cH:58]3)[n:43][c:44]([N:46]3[CH2:47][CH2:48][O:49][CH2:50][CH2:51]3)[s:45]2)[n:40]1.[F:61][c:62]1[cH:63][cH:64][cH:65][c:66]([F:67])[c:68]1[S:69]([Cl:70])(=[O:71])=[O:72]>>[S:23](=[O:24])(=[O:25])([c:26]1[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]1[F:32])[NH:55][c:54]1[c:53]([O:59][CH3:60])[c:52](-[c:42]2[c:41](-[c:39]3[cH:38][cH:37][n:36][c:35]([Cl:34])[n:40]3)[s:45][c:44]([N:46]3[CH2:47][CH2:48][O:49][CH2:50][CH2:51]3)[n:43]2)[cH:58][cH:57][cH:56]1