HRID1143048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17998751

1-[1-(2-Methoxyethyl)pyrrolidin-3-yl]-N-methylmethanamine

C9H20N2O

结构：CCCSC1NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

HCID86656530

未命名化合物

PRODUCTS

生成物

结构：COCCN1CCC(CN(C)C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)C1

HCID67348856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d6101c634604e759f1ed4fe470cc902
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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