Calcium Cation → HCID 9951696, compound

HRID 2326016Notes

Reaction equation

HRID 2326016 reaction equation
[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Ca+2:12].[ClH:36].[NH2:17][c:18]1[cH:19][c:20]([CH3:32])[c:21]([S:25](=[O:26])(=[O:27])[CH2:28][N+:29](=[O:30])[O-:31])[c:22]([CH3:24])[cH:23]1.[O-:13][C:14](=[O:15])[O-:16].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[Cl:11].[O:33]=[C:34]=[O:35].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:48]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:17][c:18]1[cH:19][c:20]([CH3:32])[c:21]([S:25](=[O:26])(=[O:27])[CH2:28][N+:29](=[O:30])[O-:31])[c:22]([CH3:24])[cH:23]1

Participants

10

Reactant 9

HCID 271Calcium CationHCID 280Carbon DioxideHCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 69703Phenoxyacetyl chlorideHCID 195716Ici 222155

Product 1

HCID 9951696HCID 9951696, compound

Sources & evidence

ORD record
ord-422432ad58084cadad8296186d06533d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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