HRID125082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3SC)ccc2c1

HCID57552520

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c3c(ccc2c1)-c1ccc(F)cc1SC3c1ccc(OCCN2CCCCC2)cc1

HCID11454822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e54566f3d73b43c29d441eff1ba71110
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

[Al+3:40].[C:61](=[O:62])([OH:63])[O-:64].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:56][S:57](=[O:58])(=[O:59])[Cl:60].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[Cl-:45].[F:1][c:2]1[cH:3][c:4]([S:37][CH3:38])[c:5](-[c:8]2[c:9]([C:20](=[O:21])[c:22]3[cH:23][cH:24][c:25]([O:28][CH2:29][CH2:30][N:31]4[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]4)[cH:26][cH:27]3)[c:10]3[cH:11][cH:12][c:13]([O:18][CH3:19])[cH:14][c:15]3[cH:16][cH:17]2)[cH:6][cH:7]1.[H-:39].[H-:42].[H-:43].[H-:44].[Li+:41].[NH4+:46].[Na+:65]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)-[c:8]1[c:9]([c:10]3[cH:11][cH:12][c:13]([O:18][CH3:19])[cH:14][c:15]3[cH:16][cH:17]1)[CH:20]([c:22]1[cH:23][cH:24][c:25]([O:28][CH2:29][CH2:30][N:31]3[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]3)[cH:26][cH:27]1)[S:37]2