Calcium Cation → HCID 22400736, compound

HRID 1120756Notes

Reaction equation

HRID 1120756 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[c:6]([O:31][CH3:32])[cH:7][c:8]([CH:14]2[S:15][CH2:16][CH:17]([c:19]3[cH:20][c:21]([O:29][CH3:30])[c:22]([O:27][CH3:28])[c:23]([O:25][CH3:26])[cH:24]3)[S:18]2)[cH:9][c:10]1[N+:11]([O-:12])=[O:13].[CH3:36][CH2:37][OH:38].[Ca+2:35].[Cl-:33].[Cl-:34].[OH2:39].[Zn:40]>>[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[c:6]([O:31][CH3:32])[cH:7][c:8]([CH:14]2[S:15][CH2:16][CH:17]([c:19]3[cH:20][c:21]([O:29][CH3:30])[c:22]([O:27][CH3:28])[c:23]([O:25][CH3:26])[cH:24]3)[S:18]2)[cH:9][c:10]1[NH2:11]

Participants

7

Reactant 6

HCID 271Calcium CationHCID 312Chloride2×HCID 702EthanolHCID 962WaterHCID 23994ZincHCID 224007432-(3-Methoxy-5-nitro-4-prop-2-enoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-dithiolane

Product 1

HCID 22400736HCID 22400736, compound

Sources & evidence

ORD record
ord-ad9af6dba3ff40aaa025ee7a1bc8eb2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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