Chloride → HCID 178464705, compound

HRID 89331Notes

Reaction equation

HRID 89331 reaction equation
[C:52](=[O:53])([OH:54])[O-:55].[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([C:16]([CH:17]([CH3:18])[CH3:19])([c:20]3[n:21][cH:22][n:23]([C:25]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[cH:24]3)[OH:44])[cH:12][c:13]2[cH:14][cH:15]1.[CH3:57][OH:58].[Cl-:45].[Na+:56].[nH+:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([C:16]([CH:17]([CH3:18])[CH3:19])([c:20]3[n:21][cH:22][nH:23][cH:24]3)[OH:44])[cH:12][c:13]2[cH:14][cH:15]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 4989215PyridiniumHCID 18769117N-ethyl-6-[1-hydroxy-2-methyl-1-(1-trityl-1H-imidazol-4-yl)propyl)-2-naphthamide

Product 1

HCID 178464705HCID 178464705, compound

Sources & evidence

ORD record
ord-cbac4d3518e9404095fcdbc1709feff1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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