HRID1131684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID87438

2,6-Difluorobenzoyl chloride

C7H3ClF2O

HCID58487206

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CCC2

HCID58486884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a69f63e0e930411d863482d7c4091a03
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

[CH3:12][O:13][c:14]1[c:15](-[c:23]2[cH:24][cH:25][c:26]([NH2:29])[n:27][cH:28]2)[cH:16][c:17]2[c:21]([cH:22]1)[CH2:20][CH2:19][CH2:18]2.[CH3:47][OH:48].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[Cl:39][CH2:40][Cl:41].[F:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[c:7]([F:11])[cH:8][cH:9][cH:10]1.[Na+:50].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:49]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:29][c:26]2[cH:25][cH:24][c:23](-[c:15]3[c:14]([O:13][CH3:12])[cH:22][c:21]4[c:17]([cH:16]3)[CH2:18][CH2:19][CH2:20]4)[cH:28][n:27]2)[c:7]([F:11])[cH:8][cH:9][cH:10]1