HRID2320436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID139144

3-Hydroxyphenylacetylene

C8H6O

HCID57657840

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=NC(=O)c1cc(C#Cc2cccc(O)c2)cnc1N)c1ccccc1

HCID57657865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2f3390ce3a14ed180aa82c189785e9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[Cu:84][I:85].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[S:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)(=[O:14])[CH3:15])[cH:16][c:17]([Br:20])[cH:18][n:19]1.[OH:21][c:22]1[cH:23][c:24]([C:28]#[CH:29])[cH:25][cH:26][cH:27]1.[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[NH2:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[S:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)(=[O:14])[CH3:15])[cH:16][c:17]([C:29]#[C:28][c:24]2[cH:23][c:22]([OH:21])[cH:27][cH:26][cH:25]2)[cH:18][n:19]1