HRID696273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2

HCID19781402

未命名化合物

HCID20568359

未命名化合物

PRODUCTS

生成物

HCID260

Hydrogen Bromide

BrH

结构：CCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCSCC2)c2c(c1)OC(C)(C)c1ccncc1-2

HCID20287871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94c26a822b53440588ce070fe9c4f428
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

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