Hydrochloric Acid → HCID 77444067, compound

HRID 2145765Notes

Reaction equation

HRID 2145765 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](=[O:24])[nH:10][n:11][c:12]2[CH2:13][CH:14]2[CH2:15][N:16]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:26][N:27]([CH2:28][c:29]1[cH:30][cH:31][c:32]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:33][cH:34]1)[CH3:44].[ClH:25].[K+:49].[K+:50].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([CH2:28][N:27]([CH3:26])[CH3:44])[cH:34][cH:33]2)[cH:3][cH:4][c:5](-[n:8]2[c:9](=[O:24])[nH:10][n:11][c:12]2[CH2:13][CH:14]2[CH2:15][N:16]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 34604594-((N,N-Dimethylamino)methyl)phenylboronic acid pinacol esterHCID 673542364-(4-bromophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 77444067HCID 77444067, compound

Sources & evidence

ORD record
ord-2c7b086df1814f568a2e8a1965c2ef2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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