HRID299129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID659279

2,3-dihydro-1,4-benzodioxine-6-carboxamide

C9H9NO3

HCID66748103

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1=CC=CN2CCS(=O)(=O)N=C12)c1ccc2c(c1)OCCO2

HCID66823916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-216f28679ee94e20a122d09f753c142a
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

[Br:1][C:2]1=[CH:3][CH:4]=[CH:5][N:6]2[C:7]1=[N:8][S:9](=[O:12])(=[O:13])[CH2:10][CH2:11]2.[C:34](=[O:35])([O-:36])[O-:37].[CH3:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[Cs+:38].[Cs+:39].[O:21]1[c:22]2[c:23]([cH:27][c:28]([C:31](=[O:32])[NH2:33])[cH:29][cH:30]2)[O:24][CH2:25][CH2:26]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[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]>>[C:2]1([NH:33][C:31]([c:28]2[cH:27][c:23]3[c:22]([cH:30][cH:29]2)[O:21][CH2:26][CH2:25][O:24]3)=[O:32])=[CH:3][CH:4]=[CH:5][N:6]2[C:7]1=[N:8][S:9](=[O:12])(=[O:13])[CH2:10][CH2:11]2