HRID294950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：O=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)OCO3)NC2

HCID10892121

未命名化合物

HCID15531574

6-Hydroxy-1-benzofuran-2-carboxylic acid

C9H6O4

PRODUCTS

生成物

结构：O=C(c1cc2ccc(O)cc2o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)OCO2

HCID11812647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39e4d0f1cd3c410b8a5f051cba881f13
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

[CH2:20]1[O:21][c:22]2[cH:23][c:24]([CH:29]3[NH:30][CH2:31][c:32]4[c:33]3[nH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]3[c:41]4=[O:42])[cH:25][cH:26][c:27]2[O:28]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][c:7]([C:9](=[O:10])[OH:11])[o:8]2)[cH:12][cH:13]1>>[OH:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][c:7]([C:9](=[O:11])[N:30]3[CH:29]([c:24]4[cH:23][c:22]5[c:27]([cH:26][cH:25]4)[O:28][CH2:20][O:21]5)[c:33]4[c:32]([c:41](=[O:42])[c:40]5[c:35]([nH:34]4)[cH:36][cH:37][cH:38][cH:39]5)[CH2:31]3)[o:8]2)[cH:12][cH:13]1