HRID205122

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

HCID11816697

N-tert-Butyl-6-chloropyridine-3-carboxamide

C10H13ClN2O

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)cn1

HCID68680314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fe5daf07bbb4bcf9f0e6613cea0b5f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][n:9][c:10]([Cl:13])[cH:11][cH:12]1)=[O:14].[C:32](=[O:33])([O-:34])[OH:35].[CH3:37][CH:38]([OH:39])[CH3:40].[CH:15]1([NH:18][C:19](=[O:20])[c:21]2[cH:22][c:23]([F:31])[c:24]([CH3:30])[c:25]([B:27]([OH:28])[OH:29])[cH:26]2)[CH2:16][CH2:17]1.[Na+:36].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([c:7]1[cH:8][n:9][c:10](-[c:25]2[c:24]([CH3:30])[c:23]([F:31])[cH:22][c:21]([C:19]([NH:18][CH:15]3[CH2:16][CH2:17]3)=[O:20])[cH:26]2)[cH:11][cH:12]1)=[O:14]