HRID2340394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID123458

1-Methoxy-2-propylamine

C4H11NO

结构：Cn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(S(C)(=O)=O)n2)n1C1CCN(C(=O)OC(C)(C)C)CC1

HCID60061131

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID60061134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5085281237cc4cae9b59d93e065d4573
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

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