HRID2321305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)c1cnc(Oc2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)nc1

HCID59508640

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(Oc2ncc(C(=O)O)cn2)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID59508756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63c768d8b4c14f7db7abadca7da49ab0
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

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