HRID2130480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID44181959

1-(Prop-2-en-1-yl)cyclopropane-1-sulfonyl chloride

C6H9ClO2S

结构：Cc1c(Nc2ccc(Br)cc2F)c(N)c2n(c1=O)CCN2C(=O)OC(C)(C)C

HCID67194720

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(S(=O)(=O)Nc2c(Nc3ccc(Br)cc3F)c(C)c(=O)n3c2N(C(=O)OC(C)(C)C)CC3)CC1

HCID67195451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75637cbeaaff47fb94b7b3b1a38797c4
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:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][n:21]2[c:22]1[c:23]([NH2:38])[c:24]([NH:29][c:30]1[c:31]([F:37])[cH:32][c:33]([Br:36])[cH:34][cH:35]1)[c:25]([CH3:28])[c:26]2=[O:27].[CH2:1]([CH:2]=[CH2:3])[C:4]1([S:7](=[O:8])(=[O:9])[Cl:10])[CH2:5][CH2:6]1.[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([S:7](=[O:8])(=[O:9])[NH:38][c:23]2[c:22]3[n:21]([c:26](=[O:27])[c:25]([CH3:28])[c:24]2[NH:29][c:30]2[c:31]([F:37])[cH:32][c:33]([Br:36])[cH:34][cH:35]2)[CH2:20][CH2:19][N:18]3[C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:5][CH2:6]1