Dimethylformamide → ethyl 2-[3,3-dimethylbutyl-[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]amino]cyclopentane-1-carboxylate

HRID 101947Notes

Reaction equation

HRID 101947 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH:11][CH2:12][CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:8][CH2:9][CH2:10]1.[CH3:18][S:19](=[O:20])(=[O:21])[NH:22][c:23]1[cH:24][c:25]2[c:26]([cH:37][cH:38]1)[NH:27][C:28]([CH2:33][C:34](=[O:35])[OH:36])=[N:29][S:30]2(=[O:31])=[O:32].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH:39]1([N:40]=[C:41]=[N:42][CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[Cl:59][CH2:60][Cl:61]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([N:11]([CH2:12][CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:34]([CH2:33][C:28]2=[N:29][S:30](=[O:31])(=[O:32])[c:25]3[cH:24][c:23]([NH:22][S:19]([CH3:18])(=[O:20])=[O:21])[cH:38][cH:37][c:26]3[NH:27]2)=[O:35])[CH2:8][CH2:9][CH2:10]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 10868DicyclohexylcarbodiimideHCID 248585392H-1,2,4-Benzothiadiazine-3-acetic acid, 7-[(methylsulfonyl)amino]-, 1,1-dioxideHCID 576712612-(3,3-Dimethylbutylamino)-cyclopentanecarboxylic acid ethyl ester

Product 1

HCID 57671203ethyl 2-[3,3-dimethylbutyl-[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]amino]cyclopentane-1-carboxylate

Sources & evidence

ORD record
ord-7dc07dfe0192431d93ff82dfdaa87856
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…