HRID2149023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID3280088

未命名化合物

结构：CC(C)(C)OC(=O)NC(Cc1cn(CC(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cn1)C(=O)O

HCID178453327

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1cn(CC(Cl)(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cn1)C(=O)O

HCID178453326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e468730dc5504d4197dbb5e3620b9184
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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