HRID167167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2761404

tert-Butyl methyl(pyrrolidin-3-yl)carbamate

C10H20N2O2

结构：CSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

HCID67240096

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C1CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)C1

HCID67239955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-746366fec4e841548b899ce149fc38fa
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

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