HRID314287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31275

1,4-Dioxane

C4H8O2

结构：C=CCOc1cccnc1Cn1c2c(c3cc(C#N)ccc31)CC(NC(=O)OC(C)C)C2

HCID66933415

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：CC(C)OC(=O)NC1Cc2c(n(Cc3ncccc3O)c3ccc(C#N)cc23)C1

HCID66932980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83427b0d7fc042309f558e0309f44132
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([NH:6][CH:7]1[CH2:8][c:9]2[c:10]([n:11]([CH2:20][c:21]3[n:22][cH:23][cH:24][cH:25][c:26]3[O:27][CH2:28][CH:29]=[CH2:30])[c:12]3[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]23)[CH2:31]1)=[O:32].[CH:46]([OH:47])=[O:48].[OH2:133].[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>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([NH:6][CH:7]1[CH2:8][c:9]2[c:10]([n:11]([CH2:20][c:21]3[n:22][cH:23][cH:24][cH:25][c:26]3[OH:27])[c:12]3[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]23)[CH2:31]1)=[O:32]