HRID106558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11267141

未命名化合物

HCID21072794

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1cc(N2CCSCC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID22591451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a5622f0c5404deab06c64912fd95b78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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