HRID693011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID50994114

1-Oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C9H13NO3

结构：CC(C)(O)CCc1cc(-c2ccccc2C(F)(F)F)cc(N)c1N

HCID59280103

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)CCc1cc(-c2ccccc2C(F)(F)F)cc(NC(=O)C2=NOC3(CCCCC3)C2)c1N

HCID59280092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e713eb4234c045488904e4c382c52be1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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