HRID1558860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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-4ef9c6f1e61e47bc951ecd55f55140b2
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

[CH3:34][CH:35]([OH:36])[CH3:37].[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.[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]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