HRID689868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID428025

2-methylpropane-2-sulfinic acid

C4H10O2S

结构：Cn1c(Nc2cc(CN)ccc2Cl)nc2cc(Cl)c(N3CCC(C(F)(F)F)CC3)cc21

HCID67958077

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2cc(CNS(=O)C(C)(C)C)ccc2Cl)nc2cc(Cl)c(N3CCC(C(F)(F)F)CC3)cc21

HCID67960673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe83857abe934c00a41b99787218c75b
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

[CH3:2][C:3]([CH3:4])([CH3:5])[S:6](=[O:7])[OH:8].[Cl-:1].[Cl:41][CH2:42][Cl:43].[Cl:9][c:10]1[c:11]([NH:18][c:19]2[n:20][c:21]3[c:22]([n:23]2[CH3:24])[cH:25][c:26]([N:30]2[CH2:31][CH2:32][CH:33]([C:36]([F:37])([F:38])[F:39])[CH2:34][CH2:35]2)[c:27]([Cl:29])[cH:28]3)[cH:12][c:13]([CH2:14][NH2:15])[cH:16][cH:17]1.[OH2:40]>>[CH3:2][C:3]([CH3:4])([CH3:5])[S:6](=[O:8])[NH:15][CH2:14][c:13]1[cH:12][c:11]([NH:18][c:19]2[n:20][c:21]3[c:22]([n:23]2[CH3:24])[cH:25][c:26]([N:30]2[CH2:31][CH2:32][CH:33]([C:36]([F:37])([F:38])[F:39])[CH2:34][CH2:35]2)[c:27]([Cl:29])[cH:28]3)[c:10]([Cl:9])[cH:17][cH:16]1