HRID2318348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(-c3ccc(C(C)(C)C)cc3)c1)N2

HCID67443785

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(-c2cc(F)cc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)cc1

HCID67442745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1403cc5599942f8aeea68221b969421
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

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