HRID313254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID28123

Tetrahydroborate

H4B-

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-ccf2ff1ada154923837aac27d9625fe4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH4-:1].[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][C:11]1([C:26](=[O:27])[NH:28][CH:29]([CH2:30][C:31](=[O:32])[O:33][CH3:34])[c:35]2[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]2)[CH2:12][CH2:13][N:14]([c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[nH:23][cH:24][cH:25]3)[CH2:15][CH2:16]1.[CH3:43][CH2:44][OH:45].[Na+:2].[OH2:42]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][C:11]1([C:26](=[O:27])[NH:28][CH:29]([CH2:30][CH2:31][OH:32])[c:35]2[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]2)[CH2:12][CH2:13][N:14]([c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[nH:23][cH:24][cH:25]3)[CH2:15][CH2:16]1