HRID184587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID134472

N,N-Dimethylsulfamide

C2H8N2O2S

HCID514261

2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid

C15H16BrNO2

HCID5250894

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

HCID58765150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d58d49277f0b490f9dccf7db8c540dc5
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

[Br:13][c:14]1[nH:15][c:16]2[cH:17][c:18]([C:29](=[O:30])[OH:31])[cH:19][cH:20][c:21]2[c:22]1[CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[C:1]([c:2]1[nH:3][cH:4][cH:5][n:6]1)([c:7]1[nH:8][cH:9][cH:10][n:11]1)=[O:12].[CH2:39]1[CH2:40][CH2:41][C:42]2=[N:47][CH2:46][CH2:45][CH2:44][N:43]2[CH2:48][CH2:49]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:32][N:33]([S:34](=[O:35])(=[O:36])[NH2:37])[CH3:38].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60]>>[Br:13][c:14]1[nH:15][c:16]2[cH:17][c:18]([C:29](=[O:31])[NH:37][S:34]([N:33]([CH3:32])[CH3:38])(=[O:35])=[O:36])[cH:19][cH:20][c:21]2[c:22]1[CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1