HRID697558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

结构：CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCN(CC)CC)cc1

HCID13493

Etonitazene

C22H28N4O3

HCID59715803

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(Cc2nc3cc(NC(=N)c4ccoc4)ccc3n2CCN(CC)CC)cc1

HCID178466241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b34f0a731fa64996b16689c38ba8231b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BrH:30].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:21][cH:22][c:23]([N+:25]([O-:26])=[O:27])[cH:24]3)[cH:28][cH:29]1.[CH2:31]([S:32][C:39](=[NH:40])[c:41]1[cH:42][o:43][cH:44][cH:45]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[cH:21][cH:22][c:23]([NH:25][C:39](=[NH:40])[c:41]2[cH:42][o:43][cH:44][cH:45]2)[cH:24]3)[cH:28][cH:29]1