HRID1217278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID3776

Isopropanol

C3H8O

HCID8900

Heptane

C7H16

结构：O=C(O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1

HCID71087292

未命名化合物

HCID86674794

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1cccnn1

HCID71105703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09f0a08b9b2046d9bbebb366fd9ad4d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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