HRID1214642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID79872

4-Morpholinebutanoic acid (9CI)

C8H15NO3

结构：CCCC(C)(c1ccc(F)cc1)c1c(C)c(O)c2c(c1C)OC(C)C1CCC=CC21

HCID68121783

未命名化合物

PRODUCTS

生成物

HCID260

Hydrogen Bromide

BrH

结构：CCCC(C)(c1ccc(F)cc1)c1c(C)c(OC(=O)CCCN2CCOCC2)c2c(c1C)OC(C)C1CCC=CC21

HCID86734784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f249149669848709145121bc0986bf3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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