HRID214015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID17587

N,N-Dimethylacrylamide

C5H9NO

结构：COc1cc(-c2csc3c(C(=O)NC4CCCNC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID18450825

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2csc3c(C(=O)NC4CCCN(CCC(=O)N(C)C)C4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID18450839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d28aed6b17d243dbad3bb57e5c373cd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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