HRID2131458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)OC(=O)N1CCC(N)C(C(=O)N2CCCC(Cc3ccc(F)cc3)C2)C1

HCID77706926

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N)C(CN2CCCC(Cc3ccc(F)cc3)C2)C1

HCID178452098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc85af82046e4d2c909aaa65c9257966
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH3:37].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:15](=[O:16])[N:17]2[CH2:18][CH:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:20][CH2:21][CH2:22]2)[CH:11]([NH2:14])[CH2:12][CH2:13]1.[C:32](=[O:33])([OH:34])[O-:35].[ClH:31].[Na+:36].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:15][N:17]2[CH2:18][CH:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:20][CH2:21][CH2:22]2)[CH:11]([NH2:14])[CH2:12][CH2:13]1