HRID317277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID44206103

1-(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

C11H8F2O4

结构：Cc1cnc(N)cc1-c1cccc(C(=O)OC(C)(C)C)c1

HCID57895160

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc1-c1cccc(C(=O)OC(C)(C)C)c1

HCID57895169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7631ffd6acca45639b9d8ee9ed2440c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:50][CH2:51][Cl:52].[F:1][C:2]1([F:17])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[OH:16])[CH2:12][CH2:13]3)[cH:10]2)[O:6]1.[NH2:22][c:23]1[n:24][cH:25][c:26]([CH3:42])[c:27](-[c:29]2[cH:30][c:31]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40][cH:41]2)[cH:28]1.[S:18]([Cl:19])([Cl:20])=[O:21]>>[F:1][C:2]1([F:17])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:16])[NH:22][c:23]4[n:24][cH:25][c:26]([CH3:42])[c:27](-[c:29]5[cH:30][c:31]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40][cH:41]5)[cH:28]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1