HRID2311657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID58317523

未命名化合物

HCID178420554

未命名化合物

HCID178514179

未命名化合物

PRODUCTS

产物

HCID58317683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6187b73679e54524b3bde0b0ea7fe507
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

[C:14](#[N:15])[Zn:16][C:17]#[N:18].[CH3:20][CH2:21][O:22][C:23]([CH3:24])=[O:25].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[c:8]([I:13])[cH:9][c:10]([Cl:12])[n:11]1.[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[OH2:19].[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([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)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[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)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[c:8]([C:14]#[N:15])[cH:9][c:10]([Cl:12])[n:11]1