Bicarbonate Ion → 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

HRID 145951Notes

Reaction equation

HRID 145951 reaction equation
[C:62](=[O:63])([OH:64])[O-:65].[CH2:67]([Cl:68])[Cl:69].[Cl:22][c:23]1[cH:24][c:25]2[c:30]([cH:31][cH:32]1)[N:29]([CH:33]([C:34](=[O:35])[OH:36])[CH3:37])[CH2:28][CH2:27][CH2:26]2.[N:1]1([c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]3[n:18][cH:19][n:20][s:21]3)[cH:11][cH:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:66].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]3[n:18][cH:19][n:20][s:21]3)[cH:11][cH:12]2)[CH2:2][CH2:3][N:4]([C:34]([CH:33]([N:29]2[CH2:28][CH2:27][CH2:26][c:25]3[cH:24][c:23]([Cl:22])[cH:32][cH:31][c:30]32)[CH3:37])=[O:35])[CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594660734-(piperazin-1-yl)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamideHCID 670826512-(6-chloro-3,4-dihydroquinolin-1(2H)-yl)propanoic acid

Product 1

HCID 594660164-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

Sources & evidence

ORD record
ord-61ee51c3514d49e6b0eb8efa323f3b9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…