Calcium Cation → HCID 75153691, compound

HRID 165256Notes

Reaction equation

HRID 165256 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:14](=[O:15])[O:16][CH3:17])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:46][O:47][C:48]([CH3:49])([CH3:50])[CH3:51].[Ca+2:39].[F:18][C:19]([c:20]1[cH:21][c:22]([C:30]([C:31]([F:32])([F:33])[F:34])=[O:35])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1)([F:36])[F:37].[OH-:38].[OH-:40]>>[C:1]([CH:2]=[C:30]([c:22]1[cH:21][c:20]([C:19]([F:18])([F:36])[F:37])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23]1)[C:31]([F:32])([F:33])[F:34])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:14](=[O:15])[O:16][CH3:17])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12

Participants

7

Reactant 6

HCID 271Calcium CationHCID 961Hydroxide2×HCID 6228DimethylformamideHCID 15413tert-Butyl methyl etherHCID 462223851-Naphthalenecarboxylic acid, 4-acetyl-, methyl esterHCID 46222386HCID 46222386, compound

Product 1

HCID 75153691HCID 75153691, compound

Sources & evidence

ORD record
ord-a35270dd84df45da86ba8283ca19f2dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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