HRID88610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID17168156

未命名化合物

HCID21914527

[5-(Cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]boronic acid

C11H13BFNO3

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：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NC(C)C(C)(C)C)cn1

HCID75033844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6324475b7aa40c4b684aae5a2a579cc
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:34](=[O:35])([O-:36])[OH:37].[CH3:39][CH:40]([OH:41])[CH3:42].[CH:17]1([NH:20][C:21](=[O:22])[c:23]2[cH:24][c:25]([F:33])[c:26]([CH3:32])[c:27]([B:29]([OH:30])[OH:31])[cH:28]2)[CH2:18][CH2:19]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]([CH3:10])[C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16]1.[Na+:38].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([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)[cH:118][cH:119]1>>[c:2]1(-[c:27]2[c:26]([CH3:32])[c:25]([F:33])[cH:24][c:23]([C:21]([NH:20][CH:17]3[CH2:18][CH2:19]3)=[O:22])[cH:28]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]([CH3:10])[C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16]1