HRID206052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：O=C(OC1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1

HCID3041533

未命名化合物

HCID4460490

tert-butyl N-(3-bromopropyl)carbamate

C8H16BrNO2

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CC(C)(C)OC(=O)NCCC[N+]12CCC(CC1)C(OC(=O)C(O)(c1cccs1)c1cccs1)C2

HCID11375595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9e5175542854af58d0e86f0bb3df609
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:24](=[O:25])([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[NH:31][CH2:32][CH2:33][CH2:34][Br:35].[N:1]12[CH2:2][CH:3]([O:9][C:10]([C:11]([c:12]3[s:13][cH:14][cH:15][cH:16]3)([c:17]3[s:18][cH:19][cH:20][cH:21]3)[OH:22])=[O:23])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2.[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[Br-:35].[N+:1]12([CH2:34][CH2:33][CH2:32][NH:31][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:2][CH:3]([O:9][C:10]([C:11]([c:12]3[s:13][cH:14][cH:15][cH:16]3)([c:17]3[s:18][cH:19][cH:20][cH:21]3)[OH:22])=[O:23])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2