HRID1556623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8082

Piperidine

C5H11N

HCID240704

2-sec-butylbenzenethiol

C10H14S

HCID54721560

3-bromo-5,6-dihydro-4-hydroxy-6,6-diphenyl-2H-pyran-2-one

C17H13BrO3

PRODUCTS

生成物

结构：CCC(C)c1ccccc1SC1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O

HCID54689014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdc10756f0e9418fa0fa64d863cfd6d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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