HRID697951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

HCID58769998

未命名化合物

HCID59551704

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2c1

HCID58770635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64c87ccba8e4430a9f0be4d043474281
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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