HRID146119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID259668

1-Bromo-4-phenylbutane

C10H13Br

结构：CC(C)(C)OC(=O)N1C(C(=O)NCCc2ccc(O)cc2)CSC1c1cccnc1

HCID14881556

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(C(=O)NCCc2ccc(OCCCCc3ccccc3)cc2)CSC1c1cccnc1

HCID20074084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87385c37bc364066a8140fad61b55dd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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