HRID86828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：CCOC(=O)C=Cc1c(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)ccnc1N

HCID67204064

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1c(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)ccnc1NC(=O)C1CC1

HCID67202417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49637bccd71f41dba184ca694b92a20a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[c:8]([NH2:31])[n:9][cH:10][cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[NH:23][c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[cH:18][cH:19]1)=[O:32].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:33]1([C:36](=[O:37])[Cl:38])[CH2:34][CH2:35]1.[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[c:8]([NH:31][C:36]([CH:33]2[CH2:34][CH2:35]2)=[O:37])[n:9][cH:10][cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[NH:23][c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[cH:18][cH:19]1)=[O:32]