Acetate → HCID 178465732, compound

HRID 1126646Notes

Reaction equation

HRID 1126646 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:1]([CH3:2])[NH:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([Br:13])[cH:11][cH:12]1.[CH3:15][C:16](=[O:17])[O-:18].[CH3:19][O:20][c:21]1[cH:22][c:23]([CH2:27][CH2:28][c:29]2[n:30][c:31]3[c:32]([n:33][cH:34][c:35]([I:37])[cH:36]3)[nH:38]2)[n:24][cH:25][cH:26]1.[Cl-:46].[K+:14].[K+:43].[K+:44].[Li+:45].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:53]>>[CH2:1]([CH3:2])[NH:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10](-[c:35]2[cH:34][n:33][c:32]3[c:31]([n:30][c:29]([CH2:28][CH2:27][c:23]4[cH:22][c:21]([O:20][CH3:19])[cH:26][cH:25][n:24]4)[nH:38]3)[cH:36]2)[cH:11][cH:12]1

Participants

10

Reactant 9

HCID 175AcetateHCID 312ChlorideHCID 813Potassium Cation3×HCID 962WaterHCID 19660Carbonate IonHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 74803Benzenesulfonamide, p-bromo-N-ethyl-HCID 178493175HCID 178493175, compound

Product 1

HCID 178465732HCID 178465732, compound

Sources & evidence

ORD record
ord-fd9e9669b6984b5b91f5f86a865437c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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