HRID690832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：O=[N+]([O-])c1ccc2c(c1)c(-c1cc3cnccc3o1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID57686175

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc2c(c1)c(-c1cc3cnccc3o1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID57685661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d5fc9997bfa40858ee1c620128dff70
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

[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][OH:48].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7](-[c:32]3[cH:33][c:34]4[cH:35][n:36][cH:37][cH:38][c:39]4[o:40]3)[n:8][n:9]([C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:10]2[cH:11][cH:12]1>>[NH2:1][c:4]1[cH:5][c:6]2[c:7](-[c:32]3[cH:33][c:34]4[cH:35][n:36][cH:37][cH:38][c:39]4[o:40]3)[n:8][n:9]([C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:10]2[cH:11][cH:12]1