Hydrochloric Acid → HCID 178509914, compound

HRID 206210Notes

Reaction equation

HRID 206210 reaction equation
[Br:21][c:22]1[n:23][cH:24][nH:25][c:26]1[C:27](=[O:28])[OH:29].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:1].[NH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([Cl:20])[c:8]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[cH:9]1.[Na+:67].[O-:63][C:64]([OH:65])=[O:66].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[NH:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([Cl:20])[c:8]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:19])[cH:18]2)[cH:9]1)[C:27]([c:26]1[c:22]([Br:21])[n:23][cH:24][nH:25]1)=[O:28]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594514053-{[5-(Aminomethyl)-2-chlorophenyl]oxy}-5-chlorobenzonitrileHCID 1785249144-bromo-1H-imidazole-5-carboxylic acid

Product 1

HCID 178509914HCID 178509914, compound

Sources & evidence

ORD record
ord-bd450b16ee7242489cf8f41a711d18dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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