HRID1542941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

结构：COc1cc2nc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OC(C)=O

HCID66826043

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1O

HCID66826305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3754b35d49594b4aae75e79ba3d162ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]2[c:8]([NH:26][c:27]3[cH:28][c:29]4[cH:30][n:31][n:32]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[c:33]4[cH:34][cH:35]3)[n:9][c:10](-[c:17]3[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]3)[n:11][c:12]2[cH:13][c:14]1[O:15][CH3:16].[CH3:45][OH:46].[NH4+:44].[OH-:43]>>[OH:4][c:5]1[cH:6][c:7]2[c:8]([NH:26][c:27]3[cH:28][c:29]4[cH:30][n:31][n:32]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[c:33]4[cH:34][cH:35]3)[n:9][c:10](-[c:17]3[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]3)[n:11][c:12]2[cH:13][c:14]1[O:15][CH3:16]