HRID692441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID79965

Benzenethiol, 2,5-dichloro-

C6H4Cl2S

HCID9816137

tert-butyl 2-hydroxy-2-phenylethylcarbamate

C13H19NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(Sc1cc(Cl)ccc1Cl)c1ccccc1

HCID86598976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-617e4f253e514b2b84529fe38100434c
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

[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[Cl:20][c:21]1[c:22]([SH:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]1.[OH:29][CH:30]([CH2:31][NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[Cl:20][c:21]1[c:22]([S:28][CH:30]([CH2:31][NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:23][c:24]([Cl:27])[cH:25][cH:26]1