Sodium ion → HCID 21500288, compound

HRID 144521Notes

Reaction equation

HRID 144521 reaction equation
[CH3:43][CH:44]([CH3:45])[CH2:46][C:47](=[O:48])[CH3:49].[Cl:1][CH2:2][CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]1)[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1.[Cl:20][c:21]1[cH:22][c:23]2[c:24]([n:25]([CH:29]3[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]3)[c:26](=[O:28])[nH:27]2)[cH:35][cH:36]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:50]>>[CH2:2]([CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]1)[c:13]1[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]1)[N:32]1[CH2:31][CH2:30][CH:29]([n:25]2[c:24]3[c:23]([cH:22][c:21]([Cl:20])[cH:36][cH:35]3)[nH:27][c:26]2=[O:28])[CH2:34][CH2:33]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 1046075-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 183190411,1'-(4-Chlorobutane-1,1-diyl)bis(4-chlorobenzene)

Product 1

HCID 21500288HCID 21500288, compound

Sources & evidence

ORD record
ord-da74edfa7169419da40a0708ab154cdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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