HRID177270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID69273

Benzoic acid, 4-iodo-, methyl ester

C8H7IO2

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID46864069

8-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-amine

C6H5BrN4

PRODUCTS

生成物

HCID59198947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c2f82e77062423f9164865615790778
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

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