Hydrochloric Acid → ethyl 3-[(4-fluorophenyl)methyl-[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylate

HRID 1556678Notes

Reaction equation

HRID 1556678 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]2[CH2:8][CH2:9][CH:10]([CH:11]1[NH:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[CH2:21]2.[CH3:22][S:23](=[O:24])(=[O:25])[NH:26][c:27]1[cH:28][c:29]2[c:30]([cH:41][cH:42]1)[NH:31][C:32]([CH2:37][C:38](=[O:39])[OH:40])=[N:33][S:34]2(=[O:35])=[O:36].[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][N:62]([CH3:63])[c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[ClH:43].[ClH:55]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]2[CH2:8][CH2:9][CH:10]([CH:11]1[N:12]([CH2:13][c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[C:38]([CH2:37][C:32]1=[N:33][S:34](=[O:35])(=[O:36])[c:29]3[cH:28][c:27]([NH:26][S:23]([CH3:22])(=[O:24])=[O:25])[cH:42][cH:41][c:30]3[NH:31]1)=[O:39])[CH2:21]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 248585392H-1,2,4-Benzothiadiazine-3-acetic acid, 7-[(methylsulfonyl)amino]-, 1,1-dioxideHCID 58339536HCID 58339536, compound

Product 1

HCID 91184618ethyl 3-[(4-fluorophenyl)methyl-[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylate

Sources & evidence

ORD record
ord-18ba9fa8f4df42dba858328c45b67b11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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