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

HRID 172151Notes

Reaction equation

HRID 172151 reaction equation
[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].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([NH:12][CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17]2)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1.[CH3:39][N:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:46].[ClH:58]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([N:12]([CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17]2)[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])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1

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 57671217Methyl 2-(2-cyclopropylethylamino)cycloheptane-1-carboxylate

Product 1

HCID 576712102-{(2-Cyclopropyl-ethyl)-[2-(7-methanesulfonylamino-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-cycloheptanecarboxylic acid methyl ester

Sources & evidence

ORD record
ord-5ffbb1e573cf476980a66ff21b19d3a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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