HRID1137559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1c[nH]c(-c2cc(Oc3cccc(C(=O)Nc4cc(C)ccc4F)c3)ccn2)c1

HCID51001627

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)c(NC(=O)c2cccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)c2)c1

HCID51001626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaf939af44d74efabe5b817a9de14fd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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