Calcium Cation → HCID 178500970, compound

HRID 1144104Notes

Reaction equation

HRID 1144104 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([C:15]([CH2:16][OH:17])=[O:18])[C:19]4([CH3:27])[CH2:20][CH2:21][CH:22]3[C:23]2([CH3:26])[CH2:24][CH2:25]1.[C:28]([CH2:29][C:30](=[O:31])[O:32][CH3:33])(=[O:34])[O:35][CH3:36].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Ca+2:39].[Cl-:37].[Cl-:38]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([C:15]([CH2:16][O:17][C:28]([CH2:29][C:30](=[O:31])[O:32][CH3:33])=[O:34])=[O:18])[C:19]4([CH3:27])[CH2:20][CH2:21][CH:22]3[C:23]2([CH3:26])[CH2:24][CH2:25]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 312Chloride2×HCID 1140TolueneHCID 7943Dimethyl malonateHCID 13847310HCID 13847310, compound

Product 1

HCID 178500970HCID 178500970, compound

Sources & evidence

ORD record
ord-85fe2fbb38ad4297843a842f359cc0f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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