HRID1218483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID12084

4-Chlorobenzamide

C7H6ClNO

HCID121699

Methyl 3-oxovalerate

C6H10O3

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID725585

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol

C12H13NO2

HCID22273906

未命名化合物

结构：CCOC(Cc1ccc(O)cc1C)C(=O)N1C(=O)OCC1Cc1ccccc1

HCID178467711

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCCc2nc(-c3ccc(Cl)cc3)oc2C)cc1C)C(=O)N1C(=O)OCC1Cc1ccccc1

HCID178467728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7da4292fe06487685d20f0bcb2bf5a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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