HRID1151775

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

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

2 次

结构：CC(=O)OC(C(=O)N1C(Cc2ccccc2)COC1(C)C)c1ccn(-c2ccc(-c3ccccc3)cc2)c1

HCID18380360

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(Cc2ccccc2)N1C(=O)Cc1ccn(-c2ccc(-c3ccccc3)cc2)c1

HCID18380298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1f596151e9b402086b917b04cdc64c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([O:2][CH:5]([C:6](=[O:7])[N:8]1[C:9]([CH3:20])([CH3:21])[O:10][CH2:11][CH:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:22]1[cH:23][n:24](-[c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[cH:25][cH:26]1)(=[O:3])[CH3:4].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:58][CH2:59][OH:60].[CH:39]([O-:40])=[O:41].[Cl:49][CH2:50][Cl:51].[NH4+:42]>>[CH2:5]([C:6](=[O:7])[N:8]1[C:9]([CH3:20])([CH3:21])[O:10][CH2:11][CH:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:22]1[cH:23][n:24](-[c:27]2[cH:28][cH:29][c:30](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[cH:25][cH:26]1