HRID1138706

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

HCID11728230

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(Br)ccc1OCc1ccncc1)c1ccc(C(=O)OC)cn1

HCID22105607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d22c8dd1b6d24250a49a36e26997c8f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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