HRID307821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23153172

tert-Butyl 3-(methylamino)azetidine-1-carboxylate

C9H18N2O2

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：CN(C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1)C1CN(C(=O)OC(C)(C)C)C1

HCID67349216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb828f7f2cf34942b00cf9be653c46cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH:42]([NH:44][CH3:45])[CH2:43]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:44]([CH:42]5[CH2:41][N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:43]5)[CH3:45])[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1