HRID2153890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1

HCID13668451

未命名化合物

HCID15219531

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)OC(CCCCCC)C(F)(F)F)cc3)cc2)cc1

HCID54302963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd2bcf69a3e44486992de7b05a0451b0
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:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])(=[O:32])[O:33][c:34]1[cH:35][cH:36][c:37](-[c:40]2[cH:41][cH:42][c:43]([C:46](=[O:47])[OH:48])[cH:44][cH:45]2)[cH:38][cH:39]1.[CH2:59]([Cl:60])[Cl:61].[CH2:62]([N:63]([CH2:64][CH3:65])[CH2:66][CH3:67])[CH3:68].[CH3:49][N:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][n:56]1)[CH3:57].[Cl-:22].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:20][cH:21]1.[OH2:58]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:20][cH:21]1)[C:46]([c:43]1[cH:42][cH:41][c:40](-[c:37]2[cH:36][cH:35][c:34]([O:33][C:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])=[O:32])[cH:39][cH:38]2)[cH:45][cH:44]1)=[O:47]