HRID1546606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：COC(=O)CC(NC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

HCID57750359

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

HCID57750387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f68b4649200496abddf35da3f84a135
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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