HRID282459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

结构：CN(C(=O)OC(C)(C)C)C1CCC(N(Cc2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2F)C(=O)c2sc3ccccc3c2Cl)CC1

HCID59766908

未命名化合物

PRODUCTS

生成物

HCID59766923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b217aa48b72474c852d0c7a79a3d6cb
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-:49].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([N:15]([CH2:16][c:17]2[cH:18][c:19](-[c:24]3[cH:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])=[O:35])[cH:28][cH:29]3)[cH:20][cH:21][c:22]2[F:23])[C:36](=[O:37])[c:38]2[c:39]([Cl:47])[c:40]3[c:41]([s:42]2)[cH:43][cH:44][cH:45][cH:46]3)[CH2:13][CH2:14]1)=[O:48].[CH3:52][CH2:53][OH:54].[Cl:55][CH2:56][Cl:57].[Na+:50].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([N:15]([CH2:16][c:17]2[cH:18][c:19](-[c:24]3[cH:25][cH:26][c:27]([CH:30]([C:31]([F:32])([F:33])[F:34])[OH:35])[cH:28][cH:29]3)[cH:20][cH:21][c:22]2[F:23])[C:36](=[O:37])[c:38]2[c:39]([Cl:47])[c:40]3[c:41]([s:42]2)[cH:43][cH:44][cH:45][cH:46]3)[CH2:13][CH2:14]1)=[O:48]