HRID319170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID12063

Benzoic acid, 3,5-dibromo-

C7H4Br2O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID68680591

未命名化合物

PRODUCTS

生成物

结构：CC(=Cc1ccccc1)CN(CCC1CCCN1C)C(=O)c1cc(Br)cc(Br)c1

HCID68682723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3141af794ff433294016cb21b0b7c47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([Br:11])[cH:10]1.[CH2:32]([N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41])[CH3:42].[CH3:12][C:13]([CH2:14][NH:15][CH2:16][CH2:17][CH:18]1[N:19]([CH3:23])[CH2:20][CH2:21][CH2:22]1)=[CH:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:60][C:61]#[N:62].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[ClH:31].[F:53][C:54]([F:55])([F:56])[C:57]([OH:58])=[O:59].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[N:15]([CH2:14][C:13]([CH3:12])=[CH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:16][CH2:17][CH:18]2[N:19]([CH3:23])[CH2:20][CH2:21][CH2:22]2)[cH:8][c:9]([Br:11])[cH:10]1