HRID1209591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

HCID13566

3-Butyn-1-ol

C4H6O

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID105144

Palladium(2+)

Pd+2

HCID21108582

未命名化合物

PRODUCTS

生成物

结构：OCCC#Cc1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

HCID21108570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6291df8c15a4842b93cfca9afd56be1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:43]([CH2:44][C:45]#[CH:46])[OH:47].[CH2:48]([NH:49][CH2:50][CH3:51])[CH3:52].[CH3:53][S:54]([CH3:55])=[O:56].[Cu:66][I:67].[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([Br:23])[cH:21][cH:22]2)[n:15][n:16]1.[Pd+2:57].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH2:9][S:10][CH2:11][c:12]1[o:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:46]#[C:45][CH2:44][CH2:43][OH:47])[cH:21][cH:22]2)[n:15][n:16]1