Sodium ion → Oxatomide

HRID 1239518Notes

Reaction equation

HRID 1239518 reaction equation
[CH3:40][CH:41]([CH3:42])[CH2:43][C:44](=[O:45])[CH3:46].[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:14])[nH:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:47].[c:15]1([CH:21]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:14])[nH:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:25]1[CH2:24][CH2:23][N:22]([CH:21]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:27][CH2:26]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 70048BenzhydrylpiperazineHCID 18104191-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 4615Oxatomide

Sources & evidence

ORD record
ord-668f6f5aefc945b09dc738e2f7dec5e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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