HRID2334847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID700

Ethanolamine

C2H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：O=S(=O)(Cl)c1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)ccn2)c1

HCID60209345

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(NCCO)c1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)ccn2)c1

HCID57469057

N-(2-Hydroxy-ethyl)-3-{4-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-pyridin-2-yl}-benzenesulfonamide

C25H18F6N4O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d80336cf085c4c01b9896b2c5884f59e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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