HRID298527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID411179

1-(2,4-Dichlorobenzyl)piperazine

C11H14Cl2N2

结构：O=C(O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O

HCID67359280

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1

HCID45274821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52849dc204e34ccb8775f5d6a87af97b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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