HRID164771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID14486

2-Hexenoic acid

C6H10O2

HCID135844842

未命名化合物

PRODUCTS

生成物

结构：CCCC=CC(=O)Oc1ccc(-c2ncc(CCCCCCCC)s2)cc1

HCID53740094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9afa2169813240afbad393b1ed9d4f1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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