HRID122864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID736817

1-Boc-4-(aminomethyl)piperidine

C11H22N2O2

HCID178503430

未命名化合物

PRODUCTS

生成物

结构：CSc1nccc(-c2n[nH]c3nc(NCC4CCN(C(=O)OC(C)(C)C)CC4)ncc23)n1

HCID178503433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f614ebcd9ac449aab8e1d6485d35cab2
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

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH:42]([OH:43])[CH3:44].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[nH:8][n:9][c:10]2-[c:11]1[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]1.[NH2:19][CH2:20][CH:21]1[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]1>>[c:2]1([NH:19][CH2:20][CH:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]2)[n:3][cH:4][c:5]2[c:6]([n:7]1)[nH:8][n:9][c:10]2-[c:11]1[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]1