HRID944690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

反应SMILES：O=Cc1c(OCc2ccccc2)ccc2c1ccn2S(=O)(=O)c1ccccc1

HCID86618250

5-(Phenylmethoxy)-1-(phenylsulfonyl)-1H-indole-4-carboxaldehyde

C22H17NO4S

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCN(Cc2c(OCc3ccccc3)ccc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID86618249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e5013affcfd94cacaaea047ef607462c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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