HRID162194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID1048

Pyrazole

C3H4N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8001

1,3-Dibromopropane

C3H6Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID166653

Hydride

H-

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21

HCID21092910

未命名化合物

HCID43135367

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(OCCCn3cccn3)cc2)c2ccccc21

HCID68921047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c00519be9fa74c3c8d89df223cc748e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:38][CH2:39][CH2:40][CH2:41][n:42]1[n:43][cH:44][cH:45][cH:46]1.[Br:47][CH2:48][CH2:49][CH2:50][Br:51].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9]([CH3:10])=[O:11])[CH:12]2[CH2:13][CH:14]([CH3:31])[N:15]([C:22]([c:23]3[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]3)=[O:30])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:6][cH:7]1.[H-:57].[K+:32].[K+:33].[Na+:58].[O-:34][C:35]([O-:36])=[O:37].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[nH:52]1[cH:53][cH:54][cH:55][n:56]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([C:9]([CH3:10])=[O:11])[CH:12]2[CH2:13][CH:14]([CH3:31])[N:15]([C:22]([c:23]3[cH:24][cH:25][c:26]([O:29][CH2:39][CH2:40][CH2:41][n:42]4[n:43][cH:44][cH:45][cH:46]4)[cH:27][cH:28]3)=[O:30])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:6][cH:7]1