HRID155616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7504

Benzylamine

C7H9N

结构：Cc1ccc(S(=O)(=O)OCC2CC(OS(=O)(=O)c3ccc(C)cc3)CN2S(=O)(=O)c2ccc(C)cc2)cc1

HCID296100

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2CC3CC2CN3Cc2ccccc2)cc1

HCID291412

2-Benzyl-5-(4-methylbenzene-1-sulfonyl)-2,5-diazabicyclo[2.2.1]heptane

C19H22N2O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0df39fdd33574e408fc6be40b9607e67
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

[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[NH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:1]1([CH3:38])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]([CH2:26][O:27][S:28]([c:29]3[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]3)(=[O:36])=[O:37])[CH2:12][CH:13]([O:15][S:16]([c:17]3[cH:18][cH:19][c:20]([CH3:21])[cH:22][cH:23]3)(=[O:24])=[O:25])[CH2:14]2)[cH:5][cH:6]1>>[c:1]1([CH3:38])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[CH:11]3[CH2:12][CH:13]([CH2:14]2)[N:39]([CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH2:26]3)[cH:5][cH:6]1