Acetate → HCID 178493144, compound

HRID 1218295Notes

Reaction equation

HRID 1218295 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH2:11])[cH:6][cH:7]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:13][C:14](=[O:15])[O-:16].[CH3:17][O:18][c:19]1[cH:20][c:21]([CH2:25][CH2:26][c:27]2[n:28][c:29]3[c:30]([n:31][cH:32][c:33]([I:35])[cH:34]3)[nH:36]2)[n:22][cH:23][cH:24]1.[Cl-:44].[K+:12].[K+:41].[K+:42].[Li+:43].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:51]>>[c:2]1(-[c:33]2[cH:32][n:31][c:30]3[c:29]([n:28][c:27]([CH2:26][CH2:25][c:21]4[cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23][n:22]4)[nH:36]3)[cH:34]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH2:11])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175AcetateHCID 312ChlorideHCID 813Potassium Cation3×HCID 962WaterHCID 19660Carbonate IonHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 696964-BromobenzenesulfonamideHCID 178493175HCID 178493175, compound

Product 1

HCID 178493144HCID 178493144, compound

Sources & evidence

ORD record
ord-95a3963dc260427daa567bfb78fe3140
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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