HRID1544311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

结构：CC1(C)OB(c2ccc(C(=O)NCC3CC3)cc2)OC1(C)C

HCID11483451

未命名化合物

HCID69204621

N-(3-Bromo-4-chlorophenyl)-3-furancarboxamide

C11H7BrClNO2

PRODUCTS

生成物

结构：O=C(NCC1CC1)c1ccc(-c2cc(NC(=O)c3ccoc3)ccc2Cl)cc1

HCID44578612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4817f26f724a4d74b0e9e7b4e8e23863
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([NH:9][C:10](=[O:11])[c:12]2[cH:13][o:14][cH:15][cH:16]2)[cH:5][cH:6][c:7]1[Cl:8].[CH:17]1([CH2:20][NH:21][C:22]([c:23]2[cH:24][cH:25][c:26]([B:29]3[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]3)[cH:27][cH:28]2)=[O:38])[CH2:18][CH2:19]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[Pd:50].[c:108]1([P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123][cH:124][cH:125][cH:126]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[c:2]1(-[c:26]2[cH:25][cH:24][c:23]([C:22]([NH:21][CH2:20][CH:17]3[CH2:18][CH2:19]3)=[O:38])[cH:28][cH:27]2)[cH:3][c:4]([NH:9][C:10](=[O:11])[c:12]2[cH:13][o:14][cH:15][cH:16]2)[cH:5][cH:6][c:7]1[Cl:8]