HRID819685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID49761742

未命名化合物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(I)c2occ(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12

HCID66823868

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(CCNC(=O)OCc2ccccc2)c2occ(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12

HCID66823788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-929d543bb40a4ee68e8c49816c4a2604
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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