Bicarbonate Ion → 2-Chloro-N-{1-[2-(dimethylamino)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide

HRID 143660Notes

Reaction equation

HRID 143660 reaction equation
[CH3:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66].[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[Cl:28][c:29]1[cH:30][c:31]2[c:32]([nH:33][c:34]([C:36](=[O:37])[NH:38][CH:39]3[CH2:40][c:41]4[c:42]([cH:43][cH:44][cH:45][cH:46]4)[N:47]([CH2:48][CH:49]([OH:50])[CH2:51][OH:52])[C:53]3=[O:54])[cH:35]2)[s:55]1.[NH2:11][CH:12]1[C:13](=[O:27])[N:14]([CH2:22][CH2:23][N:24]([CH3:25])[CH3:26])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[CH2:21]1.[Na+:82].[O-:78][C:79]([OH:80])=[O:81].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[NH:11]([CH:12]1[C:13](=[O:27])[N:14]([CH2:22][CH2:23][N:24]([CH3:25])[CH3:26])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[CH2:21]1)[C:36]([c:34]1[nH:33][c:32]2[c:31]([cH:30][c:29]([Cl:28])[s:55]2)[cH:35]1)=[O:37]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 117428502-chloro-N-(1-(2,3-dihydroxypropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno(2,3-b)pyrrole-5-carboxamideHCID 219068493-Amino-1-[2-(dimethylamino)ethyl]-3,4-dihydroquinolin-2-one

Product 1

HCID 103646262-Chloro-N-{1-[2-(dimethylamino)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide

Sources & evidence

ORD record
ord-88853341466f410db7e2cb5ca178c3c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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