HRID190501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：CC(C)Cn1nc(-c2ccc(F)c(F)c2)cc(COS(C)(=O)=O)c1=O

HCID21991520

未命名化合物

结构：Cc1ccc(-c2nn(CC(C)C)c(=O)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc1F

HCID67214099

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(F)c(F)c2)nn(CC(C)C)c(=O)c1N1CCN(C(=O)OC(C)(C)C)CC1

HCID67213210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16b31fb33021456f920b3ea9f053a906
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15](=[O:33])[n:16]([CH2:29][CH:30]([CH3:31])[CH3:32])[n:17][c:18](-[c:21]3[cH:22][c:23]([F:28])[c:24]([CH3:27])[cH:25][cH:26]3)[c:19]2[CH3:20])[CH2:12][CH2:13]1.[F:34][c:35]1[cH:36][c:37](-[c:38]2[cH:39][c:40]([CH2:41][O:42][S:43]([CH3:44])(=[O:45])=[O:46])[c:47](=[O:48])[n:49]([CH2:50][CH:51]([CH3:52])[CH3:53])[n:54]2)[cH:55][cH:56][c:57]1[F:58].[N:59]1([C:60]([O:61][C:62]([CH3:63])([CH3:64])[CH3:65])=[O:66])[CH2:67][CH2:68][NH:69][CH2:70][CH2:71]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15](=[O:33])[n:16]([CH2:29][CH:30]([CH3:31])[CH3:32])[n:17][c:18](-[c:21]3[cH:22][c:23]([F:28])[c:24]([F:34])[cH:25][cH:26]3)[c:19]2[CH3:20])[CH2:12][CH2:13]1