HRID1114792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10931

3,3-Dimethylacrylic acid

C5H8O2

HCID13586794

未命名化合物

HCID21476292

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CC(=O)NCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

HCID19972853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd336f37e4ed4dea8d2a7ae86b5d3990
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BrH:9].[CH2:1]([P:2]([C:3]#[N:4])([CH2:5][CH3:6])=[O:7])[CH3:8].[CH3:28][C:29](=[CH:30][C:31](=[O:32])[OH:33])[CH3:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[NH2:10][CH2:11][CH:12]1[CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:21]3[cH:22][cH:23][c:24](=[O:27])[nH:25][n:26]3)[cH:18][c:19]2[CH2:20]1.[OH2:47]>>[NH:10]([CH2:11][CH:12]1[CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:21]3[cH:22][cH:23][c:24](=[O:27])[nH:25][n:26]3)[cH:18][c:19]2[CH2:20]1)[C:31]([CH:30]=[C:29]([CH3:28])[CH3:34])=[O:32]