Hydrochloric Acid → HCID 57731592, compound

HRID 1121920Notes

Reaction equation

HRID 1121920 reaction equation
[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:63][C:64]([N:65]([CH3:66])[CH3:67])=[O:68].[ClH:62].[F:37][c:38]1[c:39]([NH:48][CH:49]2[CH2:50][CH2:51][CH:52]([OH:55])[CH2:53][CH2:54]2)[c:40]([C:41](=[O:42])[OH:43])[cH:44][c:45]([I:47])[cH:46]1.[Na+:56].[Na+:57].[O-:58][C:59](=[O:60])[O-:61].[OH2:69]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15](-[c:45]4[cH:44][c:40]([C:41](=[O:42])[OH:43])[c:39]([NH:48][CH:49]5[CH2:50][CH2:51][CH:52]([OH:55])[CH2:53][CH2:54]5)[c:38]([F:37])[cH:46]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 57731587HCID 57731587, compound

Product 1

HCID 57731592HCID 57731592, compound

Sources & evidence

ORD record
ord-e916f6c56c044545bac8afd15aa6669d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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