HRID2337265

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

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C(C)(C)Oc1cccc(C(=O)NC2CCN(Cc3cc(OCC)c(F)c(OCC)c3)CC2)c1

HCID68455471

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(NC(=O)c3cccc(OC(C)(C)C(=O)O)c3)CC2)cc(OCC)c1F

HCID68459097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e4dc27851244a88815554900f6c160c
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]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([C:15]([NH:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:23][c:24]3[cH:25][c:26]([O:34][CH2:35][CH3:36])[c:27]([F:33])[c:28]([O:30][CH2:31][CH3:32])[cH:29]3)[CH2:21][CH2:22]2)=[O:37])[cH:12][cH:13][cH:14]1)=[O:38].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][OH:49].[ClH:42].[Li+:40].[OH-:39].[OH2:41]>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][c:11]([C:15]([NH:16][CH:17]2[CH2:18][CH2:19][N:20]([CH2:23][c:24]3[cH:25][c:26]([O:34][CH2:35][CH3:36])[c:27]([F:33])[c:28]([O:30][CH2:31][CH3:32])[cH:29]3)[CH2:21][CH2:22]2)=[O:37])[cH:12][cH:13][cH:14]1)[OH:38]