HRID679064

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+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：COC(=O)CCC(=NOCc1ccc(OCc2cn3c(Cl)cccc3n2)cc1)c1ccccc1

HCID54528138

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：COC(=O)CCC(=NOCc1ccc(OCc2cn3c(-c4ccccc4)cccc3n2)cc1)c1ccccc1

HCID53650428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c287317bd6a4490820e3d107d99d594
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:44](=[O:45])([OH:46])[O-:47].[CH3:133][OH:134].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]1[cH:8][c:9]([CH2:11][O:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][O:18][N:19]=[C:20]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:33][cH:34]1)[n:10]2.[Na+:48].[OH2:135].[OH:35][B:36]([OH:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([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)[P:100]([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)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:3][cH:4][cH:5][c:6]2[n:7]1[cH:8][c:9]([CH2:11][O:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][O:18][N:19]=[C:20]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:33][cH:34]1)[n:10]2