HRID209122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID283

Formic acid, ion(1-)

CHO2-

HCID702

Ethanol

C2H6O

结构：CC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCN4CCOCC4)ccc3n2C(=O)OC(C)(C)C)c2cc(OCc3ccccc3)ccc21

HCID57562498

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCN4CCOCC4)ccc3n2C(=O)OC(C)(C)C)c2cc(O)ccc21

HCID57562455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f40ea238ec654944a98254ad1be8b4fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10](-[c:25]2[n:26]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[c:27]3[cH:28][cH:29][c:30]([O:34][CH2:35][CH2:36][N:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:31][c:32]3[cH:33]2)[c:11]2[cH:12][c:13]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:14][cH:15][c:16]12.[CH3:54][CH2:55][OH:56].[CH:50]([O-:51])=[O:52].[NH4+:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10](-[c:25]2[n:26]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[c:27]3[cH:28][cH:29][c:30]([O:34][CH2:35][CH2:36][N:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:31][c:32]3[cH:33]2)[c:11]2[cH:12][c:13]([OH:17])[cH:14][cH:15][c:16]12