HRID2338782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID177

Acetaldehyde

C2H4O

HCID240

Benzaldehyde

C7H6O

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

反应SMILES：CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(N)CC1

HCID57904834

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)c1nc2n(c(=O)c1OC(=O)c1ccccc1)CC1CCC2(N(CC)Cc2ccccc2)CC1

HCID57905266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ef620d5f97cd49e38766d68cf59ea459
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:46]([OH:47])(=[O:48])[CH3:49].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH:38](=[O:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:50](=[O:51])[CH3:52].[Cl:53][CH2:54][CH2:55][Cl:56].[ClH:1].[NH2:2][C:3]12[c:4]3[n:5]([c:12](=[O:30])[c:13]([O:21][C:22](=[O:23])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:15]3)[CH2:6][CH:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2>>[N:2]([C:3]12[c:4]3[n:5]([c:12](=[O:30])[c:13]([O:21][C:22](=[O:23])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:15]3)[CH2:6][CH:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2)([CH2:36][CH3:37])[CH2:38][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1