HRID668312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID69828

Cyclopropanamine

C3H7N

结构：CC(C)(C)OC(=O)NC1CCN(c2c(F)c(F)c(C(=O)OCc3ccccc3)c(F)c2F)C1

HCID87680015

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(c2c(F)c(F)c(C(=O)OCc3ccccc3)c(NC3CC3)c2F)C1

HCID21979510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-059ad3cf0dfd4e548d1c05acb2afd8de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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