HRID1545012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N(CCc1ccc(B(O)O)cc1)Cc1ccccc1

HCID22171360

C-(1,1-Dimethylethyl) N-[2-(4-boronophenyl)ethyl](phenylmethyl)carbamate

C20H26BNO4

HCID24824349

Methyl 4-bromo-2-[(1-methylethyl)amino]benzoate

C11H14BrNO2

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)c1ccc(-c2ccc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)cc1NC(C)C

HCID69102971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f13ca2a75c8149e4b123a050fd2c7718
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:12][CH:13]([CH3:14])[CH3:15])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[N:23]([CH2:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1)[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41].[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:60].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([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)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([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)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([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)[cH:136][cH:137]1>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([CH2:25][CH2:24][N:23]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:31][cH:30]2)[cH:3][c:4]([NH:12][CH:13]([CH3:14])[CH3:15])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1