HRID87627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID16028

Tetrabutylammonium

C16H36N+

HCID31275

1,4-Dioxane

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID1516507

1-Boc-3-(amino)azetidine

C8H16N2O2

HCID65561565

6-Chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C10H12ClN3O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(Nc2ccc(C(=O)NCCC3CC3)nn2)C1

HCID67204974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98d1d95dfeac4d7aaa6b25d1ed71afb2
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

[Br-:39].[C:16](=[O:17])([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[N:23]1[CH2:24][CH:25]([NH2:27])[CH2:26]1.[CH2:57]1[O:58][CH2:59][CH2:60][O:61][CH2:62]1.[CH3:40][CH2:41][CH2:42][CH2:43][N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56].[CH:1]1([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][n:11][c:12]([Cl:15])[cH:13][cH:14]2)[CH2:2][CH2:3]1.[N:28]12[CH2:29][CH2:30][CH2:31][N:32]=[C:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2>>[CH:1]1([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][n:11][c:12]([NH:27][CH:25]3[CH2:24][N:23]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:26]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1