HRID304028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID11667

Ethanesulfonyl chloride

C2H5ClO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)(C)c1nc2cc(N)ccc2n1CC1CCC(F)(F)CC1

HCID57723213

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCC(F)(F)CC1

HCID11675994

N-[1-[(4,4-Difluorocyclohexyl)methyl]-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl]ethanesulfonamide

C20H29F2N3O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-867ffecfc2ee49f480716c483be7bed5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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