HRID806212

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(cnn3Cc3ccc(C(C)(C)O)cc3C(F)(F)F)c2)S1

HCID67240215

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(C(C)(C)O)cc4C(F)(F)F)c3)S2)CC1CO

HCID77253164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a7e42075b464959b9780a6f2887c63d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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