HRID149647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10214710

未命名化合物

结构：O=C(O)C(=O)c1ccc(Oc2ccnc(N3CCOCC3)n2)c2ccccc12

HCID59379818

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(N4CCOCC4)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID16734161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2ea5e896267481c9304a9df82a93f12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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