HRID694621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID12201119

2-(2-bromoethylthio)-thiophene

C6H7BrS2

结构：COC(=O)C1CNCCC1CCC(=O)c1ccnc2ccc(OC)cc12

HCID66689320

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(CCSc2cccs2)CCC1CCC(=O)c1ccnc2ccc(OC)cc12

HCID178498820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd25b47c80474b3096c760cab65fa0f9
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

[Br:10][CH2:11][CH2:12][S:13][c:14]1[s:15][cH:16][cH:17][cH:18]1.[BrH:19].[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[O:20]=[C:21]([CH2:22][CH2:23][CH:24]1[CH:25]([C:30](=[O:31])[O:32][CH3:33])[CH2:26][NH:27][CH2:28][CH2:29]1)[c:34]1[cH:35][cH:36][n:37][c:38]2[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][c:43]12.[OH2:46]>>[CH2:11]([CH2:12][S:13][c:14]1[s:15][cH:16][cH:17][cH:18]1)[N:27]1[CH2:26][CH:25]([C:30](=[O:31])[O:32][CH3:33])[CH:24]([CH2:23][CH2:22][C:21](=[O:20])[c:34]2[cH:35][cH:36][n:37][c:38]3[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][c:43]23)[CH2:29][CH2:28]1