HRID196460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)N(C(=O)[O-])C1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CCC1

HCID178449609

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC1(c2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CCC1

HCID24809556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ae49e21b29447a4b99085e9baf827c0
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]([N:5]([C:2](=[O:3])[O-:4])[C:9]1([c:13]2[cH:14][cH:15][c:16](-[c:19]3[n:20][c:21]4[cH:22][cH:23][n:24]5[c:25]([c:26]4[cH:27][c:28]3-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:35][n:36][cH:37]5)[cH:17][cH:18]2)[CH2:10][CH2:11][CH2:12]1)([CH3:6])([CH3:7])[CH3:8].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:45][OH:46].[Cl:47][CH2:48][Cl:49].[ClH:38]>>[ClH:38].[NH2:5][C:9]1([c:13]2[cH:14][cH:15][c:16](-[c:19]3[n:20][c:21]4[cH:22][cH:23][n:24]5[c:25]([c:26]4[cH:27][c:28]3-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:35][n:36][cH:37]5)[cH:17][cH:18]2)[CH2:10][CH2:11][CH2:12]1