HRID160643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID69632

Bromoacetamide

C2H4BrNO

结构：Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)n[nH]c3n2)c(OC(C)C)cc1C1CCNCC1

HCID178428323

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)n[nH]c3n2)c(OC(C)C)cc1C1CCN(CC(N)=O)CC1

HCID178428325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3cb3df08c6741349bfe8216bec5f3f0
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

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