HRID1204658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID612040

2-Bromobenzothiazole

C7H4BrNS

HCID67252089

未命名化合物

PRODUCTS

生成物

结构：O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3s1)CC2

HCID53259793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2aacba2e0427491b8782ab4a89c2dc9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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