HRID1205339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=CC(=O)OC)c(F)c2)c1

HCID67271956

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=CC(=O)O)c(F)c2)c1

HCID67272576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a86ca95fc55346b0bd018c4f02ed935b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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