Acetic Acid → N-{[2-(2,4-Dichloro-6-methylphenoxy)-7-(1-ethylpropyl)-1-methyl-1H-benzimidazol-4-yl]methyl}-N-methylethanamine

HRID 662805Notes

Reaction equation

HRID 662805 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[C:48](=[O:49])([OH:50])[O-:51].[CH3:28][NH2:29].[CH3:30][C:31](=[O:32])[OH:33].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][c:7]3[c:8]([n:9]2[CH3:10])[c:11]([CH:17]([CH2:18][CH3:19])[CH2:20][CH3:21])[cH:12][cH:13][c:14]3[CH:15]=[O:16])[c:22]([CH3:27])[cH:23][c:24]([Cl:26])[cH:25]1.[Na+:47].[Na+:52]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][c:7]3[c:8]([n:9]2[CH3:10])[c:11]([CH:17]([CH2:18][CH3:19])[CH2:20][CH3:21])[cH:12][cH:13][c:14]3[CH2:15][N:29]([CH3:28])[CH2:31][CH3:30])[c:22]([CH3:27])[cH:23][c:24]([Cl:26])[cH:25]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6329MethylamineHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 580123672-(2,4-Dichloro-6-methylphenoxy)-7-(1-ethylpropyl)-1-methyl-1H-benzimidazole-4-carbaldehyde

Product 1

HCID 58012323N-{[2-(2,4-Dichloro-6-methylphenoxy)-7-(1-ethylpropyl)-1-methyl-1H-benzimidazol-4-yl]methyl}-N-methylethanamine

Sources & evidence

ORD record
ord-db5a9c199a544779a3ed10e9783f9094
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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