Hydrochloric Acid → HCID 178432444, compound

HRID 2133030Notes

Reaction equation

HRID 2133030 reaction equation
[Br:21][c:22]1[n:23][c:24]([CH3:30])[nH:25][c:26]1[C:27](=[O:28])[OH:29].[CH3:69][CH2:70][O:71][CH2:72][CH3:73].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[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+:68].[O-:64][C:65]([OH:66])=[O:67].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]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][c:24]([CH3:30])[nH:25]1)=[O:28]

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 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 1784324484-bromo-2-methyl-1H-imidazole-5-carboxylic acid

Product 1

HCID 178432444HCID 178432444, compound

Sources & evidence

ORD record
ord-172808aa5b224c17889c96537d3ba8b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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