HRID1136552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID59610197

tert-Butyl [2-(4-bromophenyl)-2-oxoethyl]carbamate

C13H16BrNO3

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1)C(C)C

HCID66619939

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)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(C(=O)CNC(=O)OC(C)(C)C)cc3)cc2)[nH]1)C(C)C

HCID66620939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc6c63d8dcc747f5b43142e9d35177fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([Br:17])[cH:15][cH:16]1)=[O:18].[C:55](=[O:56])([O-:57])[O-:58].[CH3:19][O:20][C:21]([NH:22][CH:23]([CH:24]([CH3:25])[CH3:26])[C:27](=[O:28])[N:29]1[CH:30]([c:34]2[nH:35][c:36](-[c:39]3[cH:40][cH:41][c:42]([B:45]4[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]4)[cH:43][cH:44]3)[cH:37][n:38]2)[CH2:31][CH2:32][CH2:33]1)=[O:54].[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[K+:59].[K+:60].[OH2:144].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([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)[P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14](-[c:42]2[cH:41][cH:40][c:39](-[c:36]3[nH:35][c:34]([CH:30]4[N:29]([C:27]([CH:23]([NH:22][C:21]([O:20][CH3:19])=[O:54])[CH:24]([CH3:25])[CH3:26])=[O:28])[CH2:33][CH2:32][CH2:31]4)[n:38][cH:37]3)[cH:44][cH:43]2)[cH:15][cH:16]1)=[O:18]