HRID1535928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID15158641

未命名化合物

HCID23447514

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)CC1

HCID69025437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef2e04a1041e4d2bb5376f6a92ea64ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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