HRID1121333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：CC(C)(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1

HCID11282871

未命名化合物

PRODUCTS

产物

反应SMILES：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1

HCID11360802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bbc3f9612e2441aa80d34707b37c4137
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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