HRID168919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

结构：COc1ccc(Cl)c(Oc2c(C=O)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

HCID19934776

未命名化合物

PRODUCTS

生成物

HCID19934757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-355b3681cbd749bb8150cff5b652bf8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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