HRID284678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID74571

4-(Chloromethyl)pyridine

C6H6ClN

结构：CCN(CC)C(=O)Nc1ccc(Oc2ncnc3cc(O)c(OC)cc23)cc1Cl

HCID135674217

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)Nc1ccc(Oc2ncnc3cc(OCc4ccncc4)c(OC)cc23)cc1Cl

HCID17819583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7accfb2e648043f4a957663b4a7897b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:1][c:2]1[c:3]([NH:22][C:23]([N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])=[O:29])[cH:4][cH:5][c:6]([O:8][c:9]2[n:10][cH:11][n:12][c:13]3[cH:14][c:15]([OH:21])[c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:7]1.[Cl:37][CH2:38][c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[ClH:36].[K+:34].[K+:35].[OH2:45]>>[Cl:1][c:2]1[c:3]([NH:22][C:23]([N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])=[O:29])[cH:4][cH:5][c:6]([O:8][c:9]2[n:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:21][CH2:38][c:39]4[cH:40][cH:41][n:42][cH:43][cH:44]4)[c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:7]1