HRID2129985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7969

Benzenethiol

C6H6S

结构：COC(=O)OC1CC2=CC=C3C4CCC(C(C)CBr)C4(C)CCC3C2(C)C(OC(=O)OC)C1

HCID178502536

未命名化合物

PRODUCTS

生成物

结构：COC(=O)OC1CC2=CC=C3C4CCC(C(C)CSc5ccccc5)C4(C)CCC3C2(C)C(OC(=O)OC)C1

HCID178502546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55e5497df4e3457984a7ff0496fdb862
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:10][CH2:11][CH:12]([CH:13]1[CH2:14][CH2:15][CH:16]2[C:17]3=[CH:18][CH:19]=[C:20]4[CH2:21][CH:22]([O:37][C:38](=[O:39])[O:40][CH3:41])[CH2:23][CH:24]([O:32][C:33](=[O:34])[O:35][CH3:36])[C:25]4([CH3:26])[CH:27]3[CH2:28][CH2:29][C:30]12[CH3:31])[CH3:42].[CH3:44][S:45](=[O:46])[CH3:47].[Na+:9].[OH-:8].[OH2:43].[SH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[S:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:11][CH:12]([CH:13]1[CH2:14][CH2:15][CH:16]2[C:17]3=[CH:18][CH:19]=[C:20]4[CH2:21][CH:22]([O:37][C:38](=[O:39])[O:40][CH3:41])[CH2:23][CH:24]([O:32][C:33](=[O:34])[O:35][CH3:36])[C:25]4([CH3:26])[CH:27]3[CH2:28][CH2:29][C:30]12[CH3:31])[CH3:42]