Sodium ion → HCID 21245749, compound

HRID 1562149Notes

Reaction equation

HRID 1562149 reaction equation
[CH3:56][C:57](=[O:58])[CH2:59][CH3:60].[Cl:9][CH2:10][CH2:11][CH2:12][N:13]1[C:14](=[O:28])[CH2:15][N:16]([CH2:20][c:21]2[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]2)[CH2:17][C:18]1=[O:19].[F:29][C:30]([c:31]1[cH:32][c:33]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:34][cH:35][cH:36]1)([F:43])[F:44].[I-:8].[Na+:1].[Na+:2].[Na+:7].[O-:3][C:4](=[O:5])[O-:6].[OH:45][CH:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[C:53](=[O:54])[OH:55]>>[CH2:10]([CH2:11][CH2:12][N:13]1[C:14](=[O:28])[CH2:15][N:16]([CH2:20][c:21]2[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]2)[CH2:17][C:18]1=[O:19])[N:40]1[CH2:39][CH2:38][N:37]([c:33]2[cH:32][c:31]([C:30]([F:29])([F:43])[F:44])[cH:36][cH:35][cH:34]2)[CH2:42][CH2:41]1

Participants

8

Reactant 7

HCID 923Sodium ion3×HCID 1292Mandelic AcidHCID 42961-(3-(Trifluoromethyl)phenyl)piperazineHCID 6569Methyl Ethyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 14098741HCID 14098741, compound

Product 1

HCID 21245749HCID 21245749, compound

Sources & evidence

ORD record
ord-122b55787664448ebedff8558b35c69f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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