HRID309095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID83717

Copper iodide (CuI2)

CuI2

HCID12788024

1-Ethynyl-4-phenoxybenzene

C14H10O

结构：CC(C)(C)OC(=O)CSc1nc2cc(I)c(Cl)cc2[nH]1

HCID58387110

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CSc1nc2cc(C#Cc3ccc(Oc4ccccc4)cc3)c(Cl)cc2[nH]1

HCID178451391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-affa97fda24948f4a8532455b3c7aec7
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][S:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[cH:14][c:15]([Cl:19])[c:16]([I:18])[cH:17]2)=[O:20].[C:21](#[CH:22])[c:23]1[cH:24][cH:25][c:26]([O:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:27][cH:28]1.[CH3:41][OH:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cu:49]([I:50])[I:51].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[Pd:52]([Cl:53])[Cl:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][S:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[cH:14][c:15]([Cl:19])[c:16]([C:22]#[C:21][c:23]1[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:27][cH:28]1)[cH:17]2)=[O:20]