Calcium Cation → 6-[1,3-dihydroxy-1-(1-trityl-1H-imidazol-4-yl)propyl]-N-methyl-2-naphthamide

HRID 1139565Notes

Reaction equation

HRID 1139565 reaction equation
[BH4-:1].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:64][CH2:65][OH:66].[Ca+2:5].[Cl-:3].[Cl-:4].[ClH:51].[Na+:2].[OH2:58].[OH:6][C:7]([CH2:8][C:9](=[O:10])[O:11][CH3:12])([c:13]1[n:14][cH:15][n:16]([C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:17]1)[c:37]1[cH:38][c:39]2[cH:40][cH:41][c:42]([C:47](=[O:48])[NH:49][CH3:50])[cH:43][c:44]2[cH:45][cH:46]1>>[OH:6][C:7]([CH2:8][CH2:9][OH:10])([c:13]1[n:14][cH:15][n:16]([C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:17]1)[c:37]1[cH:38][c:39]2[cH:40][cH:41][c:42]([C:47](=[O:48])[NH:49][CH3:50])[cH:43][c:44]2[cH:45][cH:46]1

Participants

11

Reactant 10

HCID 271Calcium CationHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 11490283HCID 11490283, compound

Product 1

HCID 101530586-[1,3-dihydroxy-1-(1-trityl-1H-imidazol-4-yl)propyl]-N-methyl-2-naphthamide

Sources & evidence

ORD record
ord-41eb9ad41fd049779fecae4e7f8fca60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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