HRID117887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

2 次

HCID2737811

4-Carbamoylphenylboronic acid

C7H8BNO3

结构：CC(C)(C)OC(=O)NCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(Br)cs2)CC1

HCID57908827

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc(C(N)=O)cc3)cs2)CC1

HCID57908830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1afc9dc977a4c6ea790cf446881a952
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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