HRID688287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6603

Pempidine

C10H21N

HCID4431056

1,3-dimethyl-1H-pyrazol-4-amine

C5H9N3

结构：CCOC(=O)c1cnc2ccc(-c3ccc(OC)c(OC)c3)nc2c1Cl

HCID59619730

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnc2ccc(-c3ccc(OC)c(OC)c3)nc2c1Nc1cn(C)nc1C

HCID59619852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e965516b713d4f31bc479c14cecf3f62
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

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