HRID312015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6497

Dimethyl sulfate

C2H6O4S

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：COC(=O)c1ccc(CN(C)c2nc(-c3ccc(NCc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

HCID23024001

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CN(C)c2nc(-c3ccc(N(C)Cc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

HCID23023985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9302269f86e3443caef89d1274607572
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[CH3:6].[CH3:51][O:52][S:53]([O:54][CH3:55])(=[O:56])=[O:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH:7]1([c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][c:19]3[cH:20][cH:21][c:22](-[c:25]4[n:26][c:27]([N:30]([CH3:31])[CH2:32][c:33]5[cH:34][cH:35][c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]5)[s:28][cH:29]4)[cH:23][cH:24]3)[cH:43][cH:44]2)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[K+:49].[K+:50]>>[CH3:1][N:18]([CH2:17][c:16]1[cH:15][cH:14][c:13]([CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:44][cH:43]1)[c:19]1[cH:20][cH:21][c:22](-[c:25]2[n:26][c:27]([N:30]([CH3:31])[CH2:32][c:33]3[cH:34][cH:35][c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]3)[s:28][cH:29]2)[cH:23][cH:24]1