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

HRID 152415Notes

Reaction equation

HRID 152415 reaction equation
[CH2:22]([CH3:23])[O:24][C:25](=[O:26])[CH:27]1[CH:28]([NH:32][CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37])[CH2:29][CH2:30][CH2:31]1.[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]([cH:20][cH:21]1)[NH:10][C:11]([CH2:16][C:17](=[O:18])[OH:19])=[N:12][S:13]2(=[O:14])=[O:15].[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:50][N:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[ClH:38].[ClH:57]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]([cH:20][cH:21]1)[NH:10][C:11]([CH2:16][C:17](=[O:19])[N:32]([CH:28]1[CH:27]([C:25]([O:24][CH2:22][CH3:23])=[O:26])[CH2:31][CH2:30][CH2:29]1)[CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37])=[N:12][S:13]2(=[O:14])=[O:15]

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 248585392H-1,2,4-Benzothiadiazine-3-acetic acid, 7-[(methylsulfonyl)amino]-, 1,1-dioxideHCID 576711802-(3-Methylbutylamino)-cyclopentanecarboxylic acid ethyl ester

Product 1

HCID 57671223ethyl 2-[[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]-(3-methylbutyl)amino]cyclopentane-1-carboxylate

Sources & evidence

ORD record
ord-9bedda32907c4e049a6bb39dfefc53b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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