HRID134153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

HCID22723477

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCCCCCCCCC1(CCCCCCCCCC)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

HCID22723475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14516f8ce8f3467583befdc1d3f0667c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:13]([cH:14]1)[C:12]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[c:11]1[c:6]-2[cH:7][cH:8][c:9]([N:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:10]1.[CH2:48]([Li:49])[CH2:50][CH2:51][CH3:52].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:64][OH:65].[ClH:58].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[c:2]1([CH:54]=[O:53])[cH:3][cH:4][c:5]2[c:13]([cH:14]1)[C:12]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[c:11]1[c:6]-2[cH:7][cH:8][c:9]([N:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:10]1