HRID2319555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

结构：CC12CC(F)C3c4ccc(O)cc4CC(CCCCCN4CCCC4CSc4ccc(C(F)(F)F)cc4)C3C1CCC2=O

HCID178421449

未命名化合物

PRODUCTS

生成物

HCID178421450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1ffdf0fb631465580a66de4dbb9e27a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[BH4-:44].[CH3:51][CH2:52][OH:53].[F:1][CH:2]1[CH:3]2[c:4]3[cH:5][cH:6][c:7]([OH:43])[cH:8][c:9]3[CH2:10][CH:11]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[CH:27]([CH2:31][S:32][c:33]4[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]4)[CH2:28][CH2:29][CH2:30]3)[CH:12]2[CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[C:17]2([CH3:18])[CH2:19]1.[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:54]>>[F:1][CH:2]1[CH:3]2[c:4]3[cH:5][cH:6][c:7]([OH:43])[cH:8][c:9]3[CH2:10][CH:11]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[CH:27]([CH2:31][S:32][c:33]4[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]4)[CH2:28][CH2:29][CH2:30]3)[CH:12]2[CH:13]2[CH2:14][CH2:15][CH:16]([OH:20])[C:17]2([CH3:18])[CH2:19]1