HRID121309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID68527

4-Bromobenzyl bromide

C7H6Br2

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCNC4)cc3)oc12

HCID68407831

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(Cc5ccc(Br)cc5)C4)cc3)oc12

HCID25152254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e220cc479ee94c7ba1315a74d5e6609e
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:37][c:38]1[cH:39][cH:40][c:41]([CH2:44][Br:45])[cH:42][cH:43]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:27]([CH3:28])[CH3:29])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][CH:19]4[CH2:20][NH:21][CH2:22][CH2:23]4)[cH:24][cH:25]3)[o:10]2)[cH:26]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:46][OH:47]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:27]([CH3:28])[CH3:29])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][CH:19]4[CH2:20][N:21]([CH2:44][c:41]5[cH:40][cH:39][c:38]([Br:37])[cH:43][cH:42]5)[CH2:22][CH2:23]4)[cH:24][cH:25]3)[o:10]2)[cH:26]1