Calcium Cation → HCID 57387083, compound

HRID 2317347Notes

Reaction equation

HRID 2317347 reaction equation
[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:46][CH2:47][OH:48].[Ca+2:35].[Cl-:33].[Cl-:34].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([F:23])[cH:9][cH:10][c:11]([O:13][c:14]3[n:15][cH:16][c:17]([N+:20]([O-:21])=[O:22])[cH:18][cH:19]3)[cH:12]2)[cH:24][cH:25][cH:26][c:27]1[C:28]1([C:31]#[N:32])[CH2:29][CH2:30]1.[Fe:38].[Na+:37].[OH-:36].[OH2:45]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([F:23])[cH:9][cH:10][c:11]([O:13][c:14]3[n:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]3)[cH:12]2)[cH:24][cH:25][cH:26][c:27]1[C:28]1([C:31]#[N:32])[CH2:29][CH2:30]1

Participants

10

Reactant 9

HCID 271Calcium CationHCID 312Chloride2×HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 23925IronHCID 573842802-chloro-3-(1-cyanocyclopropyl)-N-{2-fluoro-5-[(5-nitropyridin-2-yl)oxy]phenyl}benzamide

Product 1

HCID 57387083HCID 57387083, compound

Sources & evidence

ORD record
ord-fdce5a5166e34b60ae077117550c1d69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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