HRID683915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：CN(C)S(=O)(=O)n1ccnc1CN(Cc1ccc(CO)cc1)Cc1nccn1S(=O)(=O)N(C)C

HCID67286169

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)n1ccnc1CN(Cc1ccc(CCl)cc1)Cc1nccn1S(=O)(=O)N(C)C

HCID67285397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d977697b46d040f5941577c20f3b259c
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

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