HRID1122496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID142891

Ethyl 4-iodobenzoate

C9H9IO2

HCID15661129

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1

HCID15661159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dfa4bd21a984fce9585900ca40628b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][C:2]1([CH3:16])[S:3][c:4]2[cH:5][cH:6][c:7]([C:14]#[CH:15])[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[I-:29].[I:17][c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28]1.[Pd:37]([Cl:38])[Cl:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[CH3:1][C:2]1([CH3:16])[S:3][c:4]2[cH:5][cH:6][c:7]([C:14]#[C:15][c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28]3)[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1