HRID2151829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID18968904

未命名化合物

结构：CC(C)(CC(=O)NC1CCc2c(ccc3ccccc23)NC1=O)NC(=O)OC(C)(C)C

HCID53757316

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(-c2cscc2-c2ccc(CN3C(=O)C(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCc4c3ccc3ccccc43)cc2)o1

HCID54302086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51accea0572e4bf7ae751a06400e5adc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][C:10]([CH2:11][C:12]([NH:13][CH:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[NH:19][C:20]1=[O:21])=[O:30])([CH3:31])[CH3:32])=[O:33].[CH3:34][c:35]1[n:36][n:37][c:38](-[c:40]2[cH:41][s:42][cH:43][c:44]2-[c:45]2[cH:46][cH:47][c:48]([CH2:51][Br:52])[cH:49][cH:50]2)[o:39]1.[CH3:54][S:55]([CH3:56])=[O:57].[K+:2].[OH-:1].[OH2:53]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8]([NH:9][C:10]([CH2:11][C:12]([NH:13][CH:14]1[CH2:15][CH2:16][c:17]2[c:18]([cH:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[N:19]([CH2:51][c:48]2[cH:47][cH:46][c:45](-[c:44]3[c:40](-[c:38]4[n:37][n:36][c:35]([CH3:34])[o:39]4)[cH:41][s:42][cH:43]3)[cH:50][cH:49]2)[C:20]1=[O:21])=[O:30])([CH3:31])[CH3:32])=[O:33]