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

HRID 287785Notes

Reaction equation

HRID 287785 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][CH2:14][CH:15]1[CH2:16][CH2:17]1)[CH2:18]2.[CH3:19][S:20](=[O:21])(=[O:22])[NH:23][c:24]1[cH:25][c:26]2[c:27]([cH:38][cH:39]1)[NH:28][C:29]([CH2:34][C:35](=[O:36])[OH:37])=[N:30][S:31]2(=[O:32])=[O:33].[CH3:40][N:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[ClH:47].[ClH:59]>>[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][CH2:14][CH:15]1[CH2:16][CH2:17]1)[C:35]([CH2:34][C:29]1=[N:30][S:31](=[O:32])(=[O:33])[c:26]3[cH:25][c:24]([NH:23][S:20]([CH3:19])(=[O:21])=[O:22])[cH:39][cH:38][c:27]3[NH:28]1)=[O:36])[CH2:18]2

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 69086564Ethyl 3-(2-cyclopropylethylamino)bicyclo[2.2.1]heptane-2-carboxylate

Product 1

HCID 178468414ethyl 3-[2-cyclopropylethyl-[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-4de48613f1f64ae9919a5cf382e19342
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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