HRID819122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID69711155

未命名化合物

HCID178524160

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(CCc1ccccc1)c1nnco1)c1ccc2[nH]c(-c3ccncc3)nc2c1

HCID178523281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-551d87361d82456380cc9b97a6679071
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

[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH:34]([NH:35][CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[n:16]1[cH:17][cH:18][c:19](-[c:22]2[n:23][c:24]3[c:25]([nH:26]2)[cH:27][cH:28][c:29]([C:31](=[O:32])[OH:33])[cH:30]3)[cH:20][cH:21]1.[o:1]1[c:2]([CH:6]([CH2:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[NH2:15])[n:3][n:4][cH:5]1>>[o:1]1[c:2]([CH:6]([CH2:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[NH:15][C:31]([c:29]2[cH:28][cH:27][c:25]3[c:24]([n:23][c:22](-[c:19]4[cH:18][cH:17][n:16][cH:21][cH:20]4)[nH:26]3)[cH:30]2)=[O:32])[n:3][n:4][cH:5]1