HRID813184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID46785639

未命名化合物

HCID66967099

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)OCC(=O)N3)oc2ccccc12

HCID66966578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da002e03dcdd46dcb22d5859dd9d0820
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][NH:2][CH2:3][c:4]1[o:5][c:6]2[c:7]([c:8]1[CH3:9])[cH:10][cH:11][cH:12][cH:13]2.[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[O:14]=[C:15]1[NH:16][c:17]2[c:18]([cH:21][c:22]([CH:25]=[CH:26][C:27](=[O:28])[OH:29])[cH:23][n:24]2)[O:19][CH2:20]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][N:2]([CH2:3][c:4]1[o:5][c:6]2[c:7]([c:8]1[CH3:9])[cH:10][cH:11][cH:12][cH:13]2)[C:27]([CH:26]=[CH:25][c:22]1[cH:21][c:18]2[c:17]([n:24][cH:23]1)[NH:16][C:15](=[O:14])[CH2:20][O:19]2)=[O:28]