HRID105996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID83692

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

C8H15NO4

结构：O=S(=O)(C=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)Cc1cccc(N2CCNCC2)c1

HCID69635695

未命名化合物

PRODUCTS

生成物

结构：CN(CC(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1)C(=O)OC(C)(C)C

HCID69635644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2a87fdc60fb4a80b3ec73a97ca5a16f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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