HRID145010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID4837

Piperazine

C4H10N2

HCID57819914

未命名化合物

PRODUCTS

产物

HCID57819931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-92e3641de1ef4ddcb17295789b653c2d
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

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