HRID2325144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID87438

2,6-Difluorobenzoyl chloride

C7H3ClF2O

结构：CCNCC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F

HCID59187223

未命名化合物

PRODUCTS

生成物

结构：CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(F)cccc1F

HCID24809711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fcef96f90b34cb09c1a5d2893228d52
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

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