Calcium Cation → HCID 18676556, compound

HRID 1126747Notes

Reaction equation

HRID 1126747 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([S:9](=[O:10])(=[O:11])[Cl:12])[cH:13][cH:14]1.[CH3:15][c:16]1[cH:17][c:18]([NH2:19])[cH:20][c:21]([CH3:30])[c:22]1[S:23](=[O:24])(=[O:25])[CH2:26][N+:27](=[O:28])[O-:29].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[Ca+2:31].[O-:32][C:33](=[O:34])[O-:35].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:36]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([S:9](=[O:10])(=[O:11])[NH:19][c:18]2[cH:17][c:16]([CH3:15])[c:22]([S:23](=[O:24])(=[O:25])[CH2:26][N+:27](=[O:28])[O-:29])[c:21]([CH3:30])[cH:20]2)[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 271Calcium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8481N-Acetylsulfanilyl chlorideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 195716Ici 222155

Product 1

HCID 18676556HCID 18676556, compound

Sources & evidence

ORD record
ord-c6ab0cf54a9c4b1a9f303a5811bedbb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…