HRID1236882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID28179

Fluoride

F-

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID2734348

3,4-Dimethylphenylboronic acid

C8H11BO2

HCID22677331

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(-c2ccc(C)c(C)c2)cc(N)c1Cl

HCID22677522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bfc7d7b029545be834ee072e87db52b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH3:1][c:2]1[cH:3][c:4]([B:9]([OH:10])[OH:11])[cH:5][cH:6][c:7]1[CH3:8].[CH3:57][C:58]#[N:59].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[Cs+:13].[F-:12].[NH2:44][c:45]1[c:46]([Cl:56])[c:47]([C:52](=[O:53])[O:54][CH3:55])[n:48][c:49]([Cl:51])[cH:50]1.[OH2:69].[Pd+2:64].[c:14]1([P:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][CH2:23][CH2:24][CH2:25][P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH3:1][c:2]1[cH:3][c:4](-[c:49]2[n:48][c:47]([C:52](=[O:53])[O:54][CH3:55])[c:46]([Cl:56])[c:45]([NH2:44])[cH:50]2)[cH:5][cH:6][c:7]1[CH3:8]