Calcium Cation → HCID 54237909, compound

HRID 1575382Notes

Reaction equation

HRID 1575382 reaction equation
[CH3:7][OH:8].[CH3:9][O:10][C:11](=[O:12])[c:13]1[cH:14][cH:15][c:16]2[c:17]([n:18][c:19]([CH:21]=[CH:22][c:23]3[cH:24][c:25]([N+:29]([O-:30])=[O:31])[cH:26][cH:27][cH:28]3)[s:20]2)[cH:32]1.[Ca+2:35].[Cl-:33].[Cl-:34].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1.[OH2:36].[Zn:37]>>[CH3:9][O:10][C:11](=[O:12])[c:13]1[cH:14][cH:15][c:16]2[c:17]([n:18][c:19]([CH:21]=[CH:22][c:23]3[cH:24][c:25]([NH2:29])[cH:26][cH:27][cH:28]3)[s:20]2)[cH:32]1

Participants

8

Reactant 7

HCID 271Calcium CationHCID 312Chloride2×HCID 887MethanolHCID 962WaterHCID 23994ZincHCID 312751,4-DioxaneHCID 53803590HCID 53803590, compound

Product 1

HCID 54237909HCID 54237909, compound

Sources & evidence

ORD record
ord-3a1a4aea0a0141e6adcdb88a7d9b3506
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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