Hydrochloric Acid → N-[2-({1-[6-(methyloxy)-1,5-naphthyridin-4-yl]-3-pyrrolidinyl}thio)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

HRID 1153081Notes

Reaction equation

HRID 1153081 reaction equation
[C:45](=[O:46])([OH:47])[O-:48].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:2][O:3][c:4]1[n:5][c:6]2[c:7]([N:14]3[CH2:15][CH:16]([S:19][CH2:20][CH2:21][NH2:22])[CH2:17][CH2:18]3)[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1.[CH3:53][OH:54].[CH:55]([Cl:56])([Cl:57])[Cl:58].[Cl:50][CH2:51][Cl:52].[ClH:1].[Na+:49].[O:30]=[C:31]1[CH2:32][S:33][c:34]2[c:35]([cH:37][c:38]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:39][cH:40]2)[NH:36]1>>[CH3:2][O:3][c:4]1[n:5][c:6]2[c:7]([N:14]3[CH2:15][CH:16]([S:19][CH2:20][CH2:21][NH:22][S:41]([c:38]4[cH:37][c:35]5[c:34]([cH:40][cH:39]4)[S:33][CH2:32][C:31](=[O:30])[NH:36]5)(=[O:42])=[O:43])[CH2:17][CH2:18]3)[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6212ChloroformHCID 6344DichloromethaneHCID 8471TriethylamineHCID 218737563-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl chlorideHCID 58955135[2-({1-[6-(Methyloxy)-1,5-naphthyridin-4-yl]-3-pyrrolidinyl}thio)ethyl]amine

Product 1

HCID 11713493N-[2-({1-[6-(methyloxy)-1,5-naphthyridin-4-yl]-3-pyrrolidinyl}thio)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

Sources & evidence

ORD record
ord-1632edfef4324153b9b8e6b7ed52126d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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