HRID662216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79711

4-(4-Nitrophenyl)butyric acid

C10H11NO4

结构：CCC(C)C(N)CN(CC(=O)NC(CCSC)C(=O)OC)Cc1cccc2ccccc12

HCID19031483

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(CN(CC(=O)NC(CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)CCCc1ccc([N+](=O)[O-])cc1

HCID67732713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5eff283434c8448bb35bb44f7050818e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:26]([Cl:27])[CH2:28][Cl:29].[CH3:31][O:32][C:33]([CH:34]([NH:35][C:36]([CH2:37][N:38]([CH2:39][c:40]1[cH:41][cH:42][cH:43][c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]12)[CH2:50][CH:51]([CH:52]([CH2:53][CH3:54])[CH3:55])[NH2:56])=[O:57])[CH2:58][CH2:59][S:60][CH3:61])=[O:62].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[ClH:30].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][CH2:12][C:13](=[O:14])[OH:15])[cH:8][cH:9]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:16][n:17]1[c:18]2[c:19]([cH:20][cH:21][cH:22][cH:23]2)[n:24][n:25]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][CH2:12][C:13](=[O:15])[NH:56][CH:51]([CH2:50][N:38]([CH2:37][C:36]([NH:35][CH:34]([C:33]([O:32][CH3:31])=[O:62])[CH2:58][CH2:59][S:60][CH3:61])=[O:57])[CH2:39][c:40]2[cH:41][cH:42][cH:43][c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]23)[CH:52]([CH2:53][CH3:54])[CH3:55])[cH:8][cH:9]1