Hydrochloric Acid → HCID 18180487, compound

HRID 1240474Notes

Reaction equation

HRID 1240474 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[OH:9])[s:6]1.[CH3:12][CH:13]1[N:14]2[CH2:15][CH2:16][CH:17]([CH:18]1[NH2:19])[CH2:20][CH2:21]2.[CH3:60][C:61]#[N:62].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[ClH:10].[ClH:11].[Na+:59].[O-:55][C:56]([OH:57])=[O:58].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:9])[NH:19][CH:18]2[CH:13]([CH3:12])[N:14]3[CH2:15][CH2:16][CH:17]2[CH2:20][CH2:21]3)[s:6]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 3491155-Bromothiophene-2-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 17762015HCID 17762015, compound

Product 1

HCID 18180487HCID 18180487, compound

Sources & evidence

ORD record
ord-75f09831ad1a46e29a4dfb28ae3403d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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