HRID2135702

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

结构：CCCCCCC(C)C(=O)c1ccc(-c2ccc(O)cc2)cc1

HCID14597486

未命名化合物

HCID54377831

4-(Tetradecanoyloxy)benzoic acid

C21H32O4

PRODUCTS

生成物

HCID21649526

未命名化合物

HCID54377831

4-(Tetradecanoyloxy)benzoic acid

C21H32O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7aa3fa872e14ee6b7b6cbf1c6c54417
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])(=[O:15])[O:16][c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]1.[CH3:64][N:65]([CH3:66])[c:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1.[CH:49]1([N:50]=[C:51]=[N:52][CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Cl:73][CH2:74][Cl:75].[OH:26][c:27]1[cH:28][cH:29][c:30](-[c:33]2[cH:34][cH:35][c:36]([C:39]([CH:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])[CH3:47])=[O:48])[cH:37][cH:38]2)[cH:31][cH:32]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])(=[O:15])[O:16][c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]1.[cH:27]1[cH:28][cH:29][c:30](-[c:33]2[cH:34][cH:35][c:36]([C:39]([CH:40]([CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])[CH3:47])=[O:48])[cH:37][cH:38]2)[cH:31][cH:32]1