HRID88993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：C=CCCOc1ccc(CNc2nc(Nc3ccc(C(=O)OC)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67073984

未命名化合物

PRODUCTS

生成物

结构：C=CCCOc1ccc(CNc2nc(Nc3ccc(C(=O)O)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67074290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e56c72ffb19f4618a25b85ce4701ec54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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