HRID301434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7859

Propargyl alcohol

C3H4O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID69273

Benzoic acid, 4-iodo-, methyl ester

C8H7IO2

PRODUCTS

生成物

HCID4448596

methyl 4-(3-hydroxyprop-1-ynyl)benzoate

C11H10O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-547283f073ae4c88bc20e7fc6b7c710f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:12]([C:13]#[CH:14])[OH:15].[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:24][C:25]#[N:26].[I:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[OH2:23].[Pd:27]([Cl:28])[Cl:29].[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.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[c:2]1([C:14]#[C:13][CH2:12][OH:15])[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1