Hydrochloric Acid → Hydrochloric Acid

HRID 122295Notes

Reaction equation

HRID 122295 reaction equation
[BH4-:46].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:47][OH:48].[ClH:8].[NH2:9][CH:10]1[CH2:11][c:12]2[cH:13][cH:14][c:15]([NH:19][C:20](=[O:21])[c:22]3[c:23](-[c:29]4[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]4)[c:24]([CH3:28])[cH:25][cH:26][cH:27]3)[cH:16][c:17]2[CH2:18]1.[nH:1]1[c:2]([CH:6]=[O:7])[n:3][cH:4][cH:5]1>>[ClH:8].[n:1]1[c:2]([CH2:6][NH:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([NH:19][C:20](=[O:21])[c:22]4[c:23](-[c:29]5[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]5)[c:24]([CH3:28])[cH:25][cH:26][cH:27]4)[cH:16][c:17]3[CH2:18]2)[nH:3][cH:4][cH:5]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 8471TriethylamineHCID 249551H-imidazole-2-carbaldehydeHCID 28123BorohydrideHCID 224988156-Methyl-4'-trifluoromethylbiphenyl-2-carboxylic acid (2-amino-indan-5-yl)-amide

Product 2

HCID 313Hydrochloric AcidHCID 9848421N-[2-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

Sources & evidence

ORD record
ord-7898da43487349fb98d536b996e269ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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