Hydrochloric Acid → 2-{(4-Chloro-benzyl)-[2-(7-methanesulfonylamino-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-cyclopentanecarboxylic acid ethyl ester

HRID 2138403Notes

Reaction equation

HRID 2138403 reaction equation
[CH2:22]([CH3:23])[O:24][C:25](=[O:26])[CH:27]1[CH:28]([NH:32][CH2:33][c:34]2[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]2)[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].[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:53][N:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:41].[ClH:60]>>[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][c:34]1[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]1)=[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 576711912-(4-Chloro-benzylamino)-cyclopentanecarboxylic acid ethyl ester

Product 1

HCID 576711922-{(4-Chloro-benzyl)-[2-(7-methanesulfonylamino-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-cyclopentanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-2c2a8d77d57447a1a1fbabed71b8d8a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…