HRID207263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID15881759

未命名化合物

结构：CN(C)C(=O)Sc1c(Cl)ccc2c1CCN(C(=O)OC(C)(C)C)CC2

HCID57655979

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCCCN3C(=O)C(C)(C)c4ccccc43)c2CC1

HCID66706704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93625c9bfa4c4e07b3c5eae0152c3060
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

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