HRID678844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID90078

3,5-Dichloro-2-hydroxybenzenesulphonyl chloride

C6H3Cl3O3S

结构：O=C(c1cccc(CNCc2ccc(F)cc2)c1)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1

HCID58531676

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1

HCID58531383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-780e0d7e0b14413ab39ba2b0139c4eb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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