HRID182945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID33944

N-(2-Aminoethyl)piperidine

C7H16N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID69313847

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCN1CCCCC1)c1ccc(OCCCN2CCCCC2)cc1F

HCID59640438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cafa69c3e6b4657a6ab75013262be47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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