HRID806836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID24290

未命名化合物

HCID31374

Dimethylacetamide

C4H9NO

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID5051066

Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate

C9H16INO4

结构：CCOP(=O)(Cc1cc2cc(C)c(Cl)cc2nc1Br)OCC

HCID54283654

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1cc2cc(C)c(Cl)cc2nc1CC(NC(=O)OC(C)(C)C)C(=O)OC)OCC

HCID178476843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19fb6fc2a2e54e448b20dffe3c6c553a
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

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