HRID2123242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11106786

tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate

C10H20N2O3

结构：CCSC1=NC(=O)C(=Cc2ccc3c(c2)c(C)nn3Cc2ccc(Cl)cc2C(F)(F)F)S1

HCID67240481

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(C=C3SC(N4CCN(C(=O)OC(C)(C)C)C(CO)C4)=NC3=O)cc12

HCID67240939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54e1b1f92aad47ad829e8dbee3dea63b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH:41]([CH2:46][OH:47])[CH2:42][NH:43][CH2:44][CH2:45]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][c:9]([CH3:26])[c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([S:22][CH2:23][CH3:24])[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][c:9]([CH3:26])[c:10]3[cH:11][c:12]([CH:16]=[C:17]4[C:18](=[O:25])[N:19]=[C:20]([N:43]5[CH2:42][CH:41]([CH2:46][OH:47])[N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:45][CH2:44]5)[S:21]4)[cH:13][cH:14][c:15]23)[cH:27][cH:28]1