HRID1229451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1

HCID10764664

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(Cl)n3Cc3ccccc32)cc1

HCID21836983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e41ec7c902714ec28d81d4da4ecf72cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([C:13](=[O:14])[N:15]3[CH2:16][c:17]4[n:18]([cH:26][cH:27][cH:28]4)[CH2:19][c:20]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[cH:11][cH:12]2)[cH:29][cH:30][cH:31][cH:32]1.[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[Cl:33][N:34]1[C:35](=[O:36])[CH2:37][CH2:38][C:39]1=[O:40].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([C:13](=[O:14])[N:15]3[CH2:16][c:17]4[n:18]([c:26]([Cl:33])[cH:27][cH:28]4)[CH2:19][c:20]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[cH:11][cH:12]2)[cH:29][cH:30][cH:31][cH:32]1