HRID185660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7408

(1-Aminoethyl)benzene

C8H11N

结构：CN(C)C1Cn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)c(=O)n2C1

HCID21992208

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CC(N(C)C)C3)n1)c1ccccc1

HCID21992179

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c82dfc9b3e25486090086895c68d1775
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

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