Hydrochloric Acid → Pgd2-IN-1

HRID 195828

Reaction equation

HRID 195828 reaction equation
[C:21](=[O:22])([OH:23])[C:24]([CH3:25])([CH3:26])[c:27]1[cH:28][c:29]([B:33]([OH:34])[OH:35])[cH:30][cH:31][cH:32]1.[CH3:38][C:39]#[N:40].[Cl:1][c:2]1[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1.[ClH:37].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:36]>>[c:2]1(-[c:29]2[cH:28][c:27]([C:24]([C:21](=[O:22])[OH:23])([CH3:25])[CH3:26])[cH:32][cH:31][cH:30]2)[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 442489972-(3-Boronophenyl)-2-methylpropanoic acidHCID 576360046-Chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-4-pyrimidinamine

Product 1

HCID 11669780Pgd2-IN-1

Sources & evidence

ORD record
ord-26ec67cafd8041fcbc00beeed37113f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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