HRID94078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID6453793

3-(3-Ethylazepan-3-yl)phenol

C14H21NO

HCID18354308

未命名化合物

PRODUCTS

生成物

结构：CCC1(c2cccc(O)c2)CCCCN(C(=O)CCc2cncn2Cc2ccc(C#N)c(F)c2)C1

HCID18354307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b37885e03aa4bcfa4288572c2df4443
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

[C:1](#[N:2])[c:3]1[c:4]([F:20])[cH:5][c:6]([CH2:7][n:8]2[cH:9][n:10][cH:11][c:12]2[CH2:13][CH2:14][C:15](=[O:16])[OH:17])[cH:18][cH:19]1.[CH2:21]([CH3:22])[C:23]1([c:30]2[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]2)[CH2:24][NH:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[CH2:47]([Cl:48])[CH2:49][Cl:50].[CH3:51][N:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[C:1](#[N:2])[c:3]1[c:4]([F:20])[cH:5][c:6]([CH2:7][n:8]2[cH:9][n:10][cH:11][c:12]2[CH2:13][CH2:14][C:15](=[O:17])[N:25]2[CH2:24][C:23]([CH2:21][CH3:22])([c:30]3[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]3)[CH2:29][CH2:28][CH2:27][CH2:26]2)[cH:18][cH:19]1