HRID1544495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C(C)Oc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID178472167

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C)C(=O)O

HCID21973410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3796b3f5e9c412ba28fbfa36ffe4b3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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