HRID199016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID1514400

tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate

C11H23N3O2

HCID178503430

未命名化合物

PRODUCTS

生成物

结构：CSc1nccc(-c2n[nH]c3nc(NCCN4CCN(C(=O)OC(C)(C)C)CC4)ncc23)n1

HCID178503436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3606d9f40b2541338f0eda869f0feb26
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

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][CH:43]([OH:44])[CH3:45].[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][CH2:21][N:22]1[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]1>>[c:2]1([NH:19][CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]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