HRID1114476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID2326127

DIMETHYL 3-IODOPHTHALATE

C10H9IO4

HCID22046286

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(Nc2ccc(CN(C)C)cc2OC)c1C(=O)OC

HCID58307291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cf32d86a704444e91b0687a8555a848
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

[C:29](=[O:30])([O-:31])[O-:32].[CH3:16][N:17]([CH3:18])[CH2:19][c:20]1[cH:21][c:22]([O:27][CH3:28])[c:23]([NH2:26])[cH:24][cH:25]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([I:14])[cH:11][cH:12][cH:13]1)=[O:15].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:42][CH2:43][Cl:44].[Cs+:33].[Cs+:34].[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:45].[Pd:46]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:26][c:23]2[c:22]([O:27][CH3:28])[cH:21][c:20]([CH2:19][N:17]([CH3:16])[CH3:18])[cH:25][cH:24]2)[cH:11][cH:12][cH:13]1)=[O:15]