HRID108777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID2115239

未命名化合物

HCID15087784

tert-Butyl 2-methylpiperazine-1-carboxylate

C10H20N2O2

PRODUCTS

生成物

结构：CC1CN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CCN1C(=O)OC(C)(C)C

HCID58379002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34785f5406bd4765ad11edc039dca1ed
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

[CH3:19][CH:20]1[N:21]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:22][CH2:23][NH:24][CH2:25]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:41][S:42]([CH3:43])=[O:44].[Cl:1][c:2]1[n:3][n:4][c:5](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[OH2:40]>>[c:2]1([N:24]2[CH2:23][CH2:22][N:21]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH:20]([CH3:19])[CH2:25]2)[n:3][n:4][c:5](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12