HRID1202878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID166653

Hydride

H-

结构：COC(=O)C(CC(C)C)NC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

HCID16035764

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1)C(=O)O

HCID16035875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10eb83270c474191957b313123f9dc9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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