HRID1240155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID67190389

未命名化合物

结构：CC(C)(C)OC(=O)NC(CNC(=O)Oc1ccc([N+](=O)[O-])cc1)CC1CCCCC1

HCID67191592

未命名化合物

PRODUCTS

生成物

结构：COCCCCC(O)(c1cccc(Cl)c1)C1CCCN(C(=O)NCC(CC2CCCCC2)NC(=O)OC(C)(C)C)C1

HCID178494983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1174a98ed7e74483aa63f90ecab08eed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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