Acetate → Hydrochloric Acid

HRID 1563635Notes

Reaction equation

HRID 1563635 reaction equation
[Br:2][c:3]1[cH:4][c:5]([S:13](=[O:14])(=[O:15])[OH:16])[c:6]2[cH:7][cH:8][n:9][cH:10][c:11]2[cH:12]1.[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[ClH:62].[Na+:26].[Na+:27].[Na:1].[O-:28][C:29](=[O:30])[O-:31].[OH:17][B:18]([OH:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[Pd+2:67].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[ClH:62].[c:3]1(-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:4][c:5]([S:13](=[O:14])(=[O:15])[OH:16])[c:6]2[cH:7][cH:8][n:9][cH:10][c:11]2[cH:12]1

Participants

11

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 821241,4-Bis(diphenylphosphino)butaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5360545SodiumHCID 866107547-Bromo-isoquinoline-5-Sulfonic Acid

Product 2

HCID 313Hydrochloric AcidHCID 860553987-Phenylisoquinoline-5-sulfonic acid

Sources & evidence

ORD record
ord-ee4e29fe34a3401cad4b53517c3691b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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