HRID110663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2733314

1-Isocyanato-3,5-bis(trifluoromethyl)benzene

C9H3F6NO

HCID21183794

tert-Butyl 4-(azetidin-3-yl)piperazine-1-carboxylate

C12H23N3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2CN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1

HCID23140263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68907cd0ae7b4b90849ece418eaa7f52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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