HRID2157994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)C(CC(=O)N1CCC(N2Cc3cc(O)ccc3NC2=O)CC1)Cc1cc(Cl)c(N)c(C(F)(F)F)c1

HCID69071696

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4cc(O)ccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID68676157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0595ad76d49419c965356ec266312e2
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

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:3][O:4][C:5]([CH:6]([CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([N:16]2[C:17](=[O:27])[NH:18][c:19]3[cH:20][cH:21][c:22]([OH:26])[cH:23][c:24]3[CH2:25]2)[CH2:14][CH2:15]1)[CH2:28][c:29]1[cH:30][c:31]([Cl:40])[c:32]([NH2:39])[c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)=[O:41].[ClH:42].[Li+:2].[OH-:1].[OH2:43]>>[O:4]=[C:5]([CH:6]([CH2:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][CH:13]([N:16]2[C:17](=[O:27])[NH:18][c:19]3[cH:20][cH:21][c:22]([OH:26])[cH:23][c:24]3[CH2:25]2)[CH2:14][CH2:15]1)[CH2:28][c:29]1[cH:30][c:31]([Cl:40])[c:32]([NH2:39])[c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)[OH:41]