HRID2347227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Cc1nc(-c2ccc(-c3ccc(C(=O)O)cc3)c(C)c2)no1

HCID11130168

未命名化合物

HCID21849681

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(SCc5ccncc5)c(Br)c4)cc3)c(C)c2)no1

HCID21849677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-392d1206048e4644816ddb7f5538e9a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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