HRID1136630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1Cc2cc([N+](=O)[O-])ccc2CC1C(=O)O

HCID14649644

未命名化合物

HCID22671103

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)C1Cc2ccc([N+](=O)[O-])cc2CN1C(=O)OC(C)(C)C)C(=O)OC1CCCC1

HCID178446459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1acab23405e84a459c579a1468368cbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([N+:21](=[O:22])[O-:23])[cH:13][cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[OH:20].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH:34]1([O:39][C:40]([CH:41]([NH2:42])[CH2:43][CH:44]([CH3:45])[CH3:46])=[O:47])[CH2:35][CH2:36][CH2:37][CH2:38]1.[Cl:55][CH2:56][Cl:57].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([N+:21](=[O:22])[O-:23])[cH:13][cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[NH:42][CH:41]([C:40]([O:39][CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1)=[O:47])[CH2:43][CH:44]([CH3:45])[CH3:46]