HRID1217572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7498

alpha-Bromotoluene

C7H7Br

结构：CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4)ncnc32)CC1

HCID53257683

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(Cc3ccccc3)CC2)cc1

HCID57965040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc41eb53f4934af08268f4c7e8ce6244
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:41][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[O:23][c:24]2[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:28][cH:29]2)[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[Cl:50][CH2:51][Cl:52].[OH2:49].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[CH2:6]([N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[O:23][c:24]2[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:28][cH:29]2)[CH2:12][CH2:13]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1