HRID102915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID68922237

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C)ncn1CCCOc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cc3)CC2C)cc1

HCID68918709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bd064c41dfb4c49ae7a94d863568157
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:38]([CH3:39])[O:40][C:41](=[O:42])[c:43]1[n:44]([CH2:49][CH2:50][CH2:51][Br:52])[cH:45][n:46][c:47]1[CH3:48].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]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]([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-:59].[K+:32].[K+:33].[Na+:58].[O-:34][C:35]([O-:36])=[O:37].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[nH:53]1[cH:54][cH:55][n:56][cH:57]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][CH2:51][CH2:50][CH2:49][n:44]4[c:43]([C:41]([O:40][CH2:38][CH3:39])=[O:42])[c:47]([CH3:48])[n:46][cH:45]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