HRID113031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID12291

Piperidine, 1-methyl-

C6H13N

结构：Cc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3F)c12

HCID9839742

未命名化合物

HCID22633913

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N2CC(F)C(C3(NC(=O)OC(C)(C)C)CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3F)c12

HCID22633933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0ce1b2448f04a3f96712bb46860027a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][C:31]1([CH:34]2[CH:35]([F:39])[CH2:36][NH:37][CH2:38]2)[CH2:32][CH2:33]1.[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH3:47][S:48](=[O:49])[CH3:50].[NH2:1][c:2]1[c:3]2[c:4](=[O:22])[c:5]([C:19](=[O:20])[OH:21])[cH:6][n:7]([CH:15]3[CH:16]([F:18])[CH2:17]3)[c:8]2[c:9]([CH3:14])[c:10]([F:13])[c:11]1[F:12]>>[NH2:1][c:2]1[c:3]2[c:4](=[O:22])[c:5]([C:19](=[O:20])[OH:21])[cH:6][n:7]([CH:15]3[CH:16]([F:18])[CH2:17]3)[c:8]2[c:9]([CH3:14])[c:10]([N:37]2[CH2:36][CH:35]([F:39])[CH:34]([C:31]3([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:32][CH2:33]3)[CH2:38]2)[c:11]1[F:12]