HRID185894

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

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

HCID11483451

未命名化合物

HCID18457794

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2Cl)cc1

HCID44578564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54edc9ecef2b402db133d9bfb1ce33a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]2[CH2:9][CH2:10]2)[cH:11][cH:12][c:13]1[Cl:14].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:15]1([CH2:18][NH:19][C:20]([c:21]2[cH:22][cH:23][c:24]([B:27]3[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]3)[cH:25][cH:26]2)=[O:36])[CH2:16][CH2:17]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([C:20]([NH:19][CH2:18][CH:15]3[CH2:16][CH2:17]3)=[O:36])[cH:26][cH:25]2)[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]2[CH2:9][CH2:10]2)[cH:11][cH:12][c:13]1[Cl:14]