HRID172827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID3352185

Neopentyl chloroformate

C6H11ClO2

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

HCID11360802

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1

HCID21897675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7693a9c7427b440499fd1ddbbf265ac5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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