Sodium ion → HCID 15101055, compound

HRID 120388Notes

Reaction equation

HRID 120388 reaction equation
[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[c:6]2[n:7]([n:23][cH:24][c:25]2[C:26]#[N:27])[C:8]([c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)=[C:9]([CH2:11][CH3:12])[CH2:10]1.[Na+:41].[Na+:42].[Na+:48].[O-:43][C:44](=[O:45])[O-:46].[OH-:47]>>[CH2:2]([C:3](=[O:4])[N:5]1[c:6]2[n:7]([n:23][cH:24][c:25]2[C:26]#[N:27])[C:8]([c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)=[C:9]([CH2:11][CH3:12])[CH2:10]1)[N:38]1[CH2:37][CH2:36][N:35]([CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:40][CH2:39]1

Participants

7

Reactant 6

HCID 923Sodium ion3×HCID 961HydroxideHCID 1140TolueneHCID 19660Carbonate IonHCID 759941-BenzylpiperazineHCID 19756204HCID 19756204, compound

Product 1

HCID 15101055HCID 15101055, compound

Sources & evidence

ORD record
ord-cd574551592148c4bb1d40dc156b7d76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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