HRID2124571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

3 次

HCID19660

Carbonate

CO3-2

HCID612040

2-Bromobenzothiazole

C7H4BrNS

结构：COC(=O)c1cc(Br)cc2c1OC(c1ccccc1)(c1ccccc1)O2

HCID59642990

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：COC(=O)c1cc(-c2nc3ccccc3s2)cc2c1OC(c1ccccc1)(c1ccccc1)O2

HCID59643042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eab74a50d57945c0846bbc9d62c94e2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:23](=[O:24])[O:25][CH3:26])[c:5]2[c:6]([cH:22]1)[O:7][C:8]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:9]2.[Br:32][c:33]1[s:34][c:35]2[c:36]([n:37]1)[cH:38][cH:39][cH:40][cH:41]2.[K+:31].[K+:42].[K+:43].[O-:27][C:28]([CH3:29])=[O:30].[O-:44][C:45]([O-:46])=[O:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([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)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([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)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([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)[cH:123][cH:124]1>>[c:2]1(-[c:33]2[s:34][c:35]3[c:36]([n:37]2)[cH:38][cH:39][cH:40][cH:41]3)[cH:3][c:4]([C:23](=[O:24])[O:25][CH3:26])[c:5]2[c:6]([cH:22]1)[O:7][C:8]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:9]2