HRID201606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID69632

Bromoacetamide

C2H4BrNO

结构：CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCNCC1)C2

HCID24816438

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(CC(N)=O)CC1)C2

HCID59764482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49563d86dfd5409cbd20e2c7a1fb9eaa
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

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