HRID93801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID104967

Cesium(1+)

Cs+

2 次

HCID86686333

未命名化合物

HCID136613105

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOC4)c23)c1C

HCID136387812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c55c53bda06470480649355fd92bcc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([c:8](=[O:12])[nH:9][c:10]2[cH:11]1)[cH:13][n:14][n:15]3[CH:16]1[CH2:17][O:18][CH2:19][CH2:20]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:21][O:22][c:23]1[n:24][cH:25][c:26]([CH3:33])[c:27]([B:30]([OH:31])[OH:32])[c:28]1[CH3:29].[Cs+:38].[Cs+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:86].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[c:2]1(-[c:27]2[c:26]([CH3:33])[cH:25][n:24][c:23]([O:22][CH3:21])[c:28]2[CH3:29])[cH:3][cH:4][c:5]2[c:6]3[c:7]([c:8](=[O:12])[nH:9][c:10]2[cH:11]1)[cH:13][n:14][n:15]3[CH:16]1[CH2:17][O:18][CH2:19][CH2:20]1