HRID2328942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID2724942

未命名化合物

HCID3160970

2-methylpyrimidine-5-carbaldehyde

C6H6N2O

反应SMILES：CC1CNCC1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1

HCID136959572

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ncc(CN2CC(C)C(c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cn1

HCID136344207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-58a0ee81a30e4eb990ef92d1e8ac4dcb
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:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:24][C:25](=[O:26])[OH:27].[CH3:28][c:29]1[n:30][cH:31][c:32]([CH:35]=[O:36])[cH:33][n:34]1.[CH3:2][CH:3]1[CH:4]([c:8]2[nH:9][c:10](=[O:23])[c:11]3[c:12]([n:13]2)[n:14]([CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:15][cH:16]3)[CH2:5][NH:6][CH2:7]1.[Cl:51][CH2:52][CH2:53][Cl:54].[ClH:1].[Na+:50]>>[CH3:2][CH:3]1[CH:4]([c:8]2[nH:9][c:10](=[O:23])[c:11]3[c:12]([n:13]2)[n:14]([CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:15][cH:16]3)[CH2:5][N:6]([CH2:35][c:32]2[cH:31][n:30][c:29]([CH3:28])[n:34][cH:33]2)[CH2:7]1