Bicarbonate Ion → 3-[[4-(2-Amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxoazepane-1-carboxamide

HRID 156743

Reaction equation

HRID 156743 reaction equation
[CH3:1][C:2]([O:3][C:6]([NH:7][CH:8]1[C:9](=[O:18])[N:10]([C:15](=[O:16])[NH2:17])[CH2:11][CH2:12][CH2:13][CH2:14]1)=[O:19])([CH3:4])[CH3:5].[Cl:27][C:28]([Cl:29])([O:30][C:31](=[O:32])[O:33][C:34]([Cl:35])([Cl:36])[Cl:37])[Cl:38].[Cl:44][c:45]1[cH:46][cH:47][c:48]2[c:49]([N:56]3[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]3)[cH:50][c:51]([NH2:55])[n:52][c:53]2[cH:54]1.[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[C:6]([NH:7][CH:8]1[C:9](=[O:18])[N:10]([C:15](=[O:16])[NH2:17])[CH2:11][CH2:12][CH2:13][CH2:14]1)(=[O:19])[N:59]1[CH2:58][CH2:57][N:56]([c:49]2[c:48]3[cH:47][cH:46][c:45]([Cl:44])[cH:54][c:53]3[n:52][c:51]([NH2:55])[cH:50]2)[CH2:61][CH2:60]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 94429TriphosgeneHCID 211017487-Chloro-4-(1-piperazinyl)-2-quinolinamineHCID 178452738tert-butyl N-(1-carbamoyl-2-oxoazepan-3-yl)carbamate

Product 1

HCID 211015163-[[4-(2-Amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxoazepane-1-carboxamide

Sources & evidence

ORD record
ord-1d75644b907d4a2c849223174f52aa24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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