HRID2161995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID6364

Isopropyl mercaptan

C3H8S

HCID5360545

Sodium

结构：CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(=O)CBr

HCID178421489

未命名化合物

PRODUCTS

生成物

结构：CC(C)SCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C

HCID178460843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d20f2b10d22b41afb53fb3fe13d428f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:6][CH2:7][C:8]([CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH2:15][CH:16]4[CH2:17][CH:18]([OH:29])[CH2:19][CH2:20][C:21]4([CH3:22])[CH:23]3[C:24](=[O:28])[CH2:25][C:26]12[CH3:27])=[O:30].[CH3:1][CH:2]([CH3:3])[SH:4].[CH3:31][CH:32]([OH:33])[CH3:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Na:5]>>[CH3:1][CH:2]([CH3:3])[S:4][CH2:7][C:8]([CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH2:15][CH:16]4[CH2:17][CH:18]([OH:29])[CH2:19][CH2:20][C:21]4([CH3:22])[CH:23]3[C:24](=[O:28])[CH2:25][C:26]12[CH3:27])=[O:30]