HRID157688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID12991241

6-Iodo-1H-indazole

C7H5IN2

HCID60133230

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：CCNC(=O)c1cc(F)c(C)c(-c2ccc3cn[nH]c3c2)c1

HCID60133232

N-ethyl-3-fluoro-5-(1H-indazol-6-yl)-4-methylbenzamide

C17H16FN3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cd91636c8144066a2c075645b774ca9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[OH:30].[CH2:11]([CH3:12])[NH:13][C:14](=[O:15])[c:16]1[cH:17][c:18]([F:26])[c:19]([CH3:25])[c:20]([B:22]([OH:23])[OH:24])[cH:21]1.[CH:33]([OH:34])([CH3:35])[CH3:36].[I:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10]1.[Na+:31].[OH2:32].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([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)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[cH:112][cH:113]1>>[c:2]1(-[c:20]2[c:19]([CH3:25])[c:18]([F:26])[cH:17][c:16]([C:14]([NH:13][CH2:11][CH3:12])=[O:15])[cH:21]2)[cH:3][cH:4][c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10]1