HRID114420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：COC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(C(C)C)ccc2n1Cc1ccc(Cl)cc1

HCID44389574

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)CO)n2Cc1ccc(Cl)cc1

HCID15035409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4148566fc944a1e9cf5fc1ff3cb10b2
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+3:35].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:24][C:25]([C:26](=[O:27])[O:28][CH3:29])([CH3:30])[CH3:31])[c:9]([S:19][C:20]([CH3:21])([CH3:22])[CH3:23])[c:10]3[cH:11][c:12]([CH:16]([CH3:17])[CH3:18])[cH:13][cH:14][c:15]23)[cH:32][cH:33]1.[H-:34].[H-:37].[H-:38].[H-:39].[Li+:36].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:24][C:25]([CH2:26][OH:27])([CH3:30])[CH3:31])[c:9]([S:19][C:20]([CH3:21])([CH3:22])[CH3:23])[c:10]3[cH:11][c:12]([CH:16]([CH3:17])[CH3:18])[cH:13][cH:14][c:15]23)[cH:32][cH:33]1