HRID1564956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1ncc(Cl)cc1-c1cc(Cc2ccc(OCc3ccccn3)cc2)on1

HCID59255373

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：Nc1ncccc1-c1cc(Cc2ccc(OCc3ccccn3)cc2)on1

HCID59255521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16a62710e77342b681e755c6020f7afd
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

[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][C:6]1=[O:7].[CH:36]([OH:37])=[O:38].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:8][c:9]1[cH:10][c:11](-[c:16]2[n:17][o:18][c:19]([CH2:21][c:22]3[cH:23][cH:24][c:25]([O:28][CH2:29][c:30]4[n:31][cH:32][cH:33][cH:34][cH:35]4)[cH:26][cH:27]3)[cH:20]2)[c:12]([NH2:15])[n:13][cH:14]1.[OH2:125].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[cH:9]1[cH:10][c:11](-[c:16]2[n:17][o:18][c:19]([CH2:21][c:22]3[cH:23][cH:24][c:25]([O:28][CH2:29][c:30]4[n:31][cH:32][cH:33][cH:34][cH:35]4)[cH:26][cH:27]3)[cH:20]2)[c:12]([NH2:15])[n:13][cH:14]1