HRID182184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7966

Cyclohexanol

C6H12O

HCID8471

Triethylamine

C6H15N

HCID5250894

未命名化合物

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

HCID11360802

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C(=O)OC5CCCCC5)CC4)ncnc32)cc1

HCID21897722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2966eb16b42241fcbf067ac92300d50c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](=[O:2])([c:3]1[nH:4][cH:5][cH:6][n:7]1)[c:8]1[nH:9][cH:10][cH:11][n:12]1.[CH3:21][S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28](-[n:31]2[n:32][cH:33][c:34]3[c:35]2[n:36][cH:37][n:38][c:39]3[O:40][CH:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:29][cH:30]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[ClH:20].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:13][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1>>[C:1](=[O:2])([O:13][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)[N:44]1[CH2:43][CH2:42][CH:41]([O:40][c:39]2[c:34]3[cH:33][n:32][n:31](-[c:28]4[cH:27][cH:26][c:25]([S:22]([CH3:21])(=[O:23])=[O:24])[cH:30][cH:29]4)[c:35]3[n:36][cH:37][n:38]2)[CH2:46][CH2:45]1