Sodium ion → HCID 13105525, compound

HRID 300826Notes

Reaction equation

HRID 300826 reaction equation
[CH3:39][CH:40]([CH3:41])[CH2:42][C:43](=[O:44])[CH3:45].[Cl:1][CH2:2][CH2:3][n:4]1[c:5](=[O:13])[nH:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:46].[c:14]1([CH:20]([N:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH2:2]([CH2:3][n:4]1[c:5](=[O:13])[nH:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2)[N:24]1[CH2:23][CH2:22][N:21]([CH:20]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:26][CH2:25]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 70048BenzhydrylpiperazineHCID 36534711-(2-Chloroethyl)-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 13105525HCID 13105525, compound

Sources & evidence

ORD record
ord-977f31e18c43485a953ed1d799a11c02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…