HRID1203550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID260

Hydrogen Bromide

BrH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2724942

未命名化合物

HCID18425769

4-Pyrrolidin-3-ylsulfanylphenol

C10H13NOS

HCID18425775

未命名化合物

PRODUCTS

生成物

结构：Oc1ccc(SC2CCN(CC(F)(F)CCc3ccccc3)C2)cc1

HCID18425835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf92281301ed47a98ec858184754575b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BrH:31].[C:1]([Cl:2])(=[O:3])[C:4]([Cl:5])=[O:6].[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:7][S:8]([CH3:9])=[O:10].[Cl:59][CH2:60][Cl:61].[Cl:62][CH2:63][CH2:64][Cl:65].[F:11][C:12]([CH2:13][OH:14])([CH2:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[F:23].[NH:32]1[CH2:33][CH:34]([S:37][c:38]2[cH:39][cH:40][c:41]([OH:44])[cH:42][cH:43]2)[CH2:35][CH2:36]1.[Na+:58].[OH2:66]>>[F:11][C:12]([CH2:13][N:32]1[CH2:33][CH:34]([S:37][c:38]2[cH:39][cH:40][c:41]([OH:44])[cH:42][cH:43]2)[CH2:35][CH2:36]1)([CH2:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[F:23]