HRID91809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8071

未命名化合物

HCID2762556

(4-Methoxypyridin-3-yl)boronic acid

C6H8BNO3

HCID14012327

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：CCCNC(=O)c1nnc2c(-c3cnccc3OC)cccc2c1N

HCID23630065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b5926ae35164dc394012c932125a263
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:19](=[O:20])([OH:21])[O-:22].[CH2:37]([Cl:38])[Cl:39].[CH2:46]([Cl:47])[Cl:48].[CH3:24][O:25][c:26]1[c:27]([B:32]([OH:33])[OH:34])[cH:28][n:29][cH:30][cH:31]1.[CH3:35][OH:36].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[NH2:1][c:2]1[c:3]([C:13](=[O:14])[NH:15][CH2:16][CH2:17][CH3:18])[n:4][n:5][c:6]2[c:7]([I:12])[cH:8][cH:9][cH:10][c:11]12.[Na+:23].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([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)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([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)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([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)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[NH2:1][c:2]1[c:3]([C:13](=[O:14])[NH:15][CH2:16][CH2:17][CH3:18])[n:4][n:5][c:6]2[c:7](-[c:27]3[c:26]([O:25][CH3:24])[cH:31][cH:30][n:29][cH:28]3)[cH:8][cH:9][cH:10][c:11]12