Chloride → HCID 178450069, compound

HRID 2320483Notes

Reaction equation

HRID 2320483 reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH3:58][OH:59].[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9]3[cH:10][cH:11][c:12]([C:17]([CH:18]([CH3:19])[CH3:20])([c:21]4[n:22][cH:23][n:24]([C:26]([c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[cH:25]4)[OH:45])[cH:13][c:14]3[cH:15][cH:16]2)[CH2:2][CH2:3]1.[Cl-:46].[Na+:57].[nH+:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH:1]1([NH:4][C:5](=[O:6])[c:7]2[cH:8][c:9]3[cH:10][cH:11][c:12]([C:17]([CH:18]([CH3:19])[CH3:20])([c:21]4[n:22][cH:23][nH:24][cH:25]4)[OH:45])[cH:13][c:14]3[cH:15][cH:16]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 4989215PyridiniumHCID 18769022N-cyclopropyl-6-[1-hydroxy-2-methyl-1-(1-trityl-1H-imidazol-4-yl)propyl)-2-naphthamide

Product 1

HCID 178450069HCID 178450069, compound

Sources & evidence

ORD record
ord-5681455baa794f8a882169d7e4f0a5bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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