HRID2157906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8021

Diethylamine

C4H11N

HCID11776

Triphenylphosphine

C18H15P

HCID24350

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

CuI

HCID79346

Pent-4-yn-1-ol

C5H8O

HCID105144

Palladium(2+)

Pd+2

HCID21108582

未命名化合物

PRODUCTS

生成物

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

HCID21108575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71c43d2b61484ed68fedfc435a9f8616
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

[CH2:24]([CH2:25][CH2:26][C:27]#[CH:28])[OH:29].[CH2:49]([NH:50][CH2:51][CH3:52])[CH3:53].[CH3:54][S:55]([CH3:56])=[O:57].[Cu:68][I:69].[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[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.[OH2:58].[Pd+2:59].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]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:28]#[C:27][CH2:26][CH2:25][CH2:24][OH:29])[cH:21][cH:22]2)[n:15][n:16]1