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

HRID 677196Notes

Reaction equation

HRID 677196 reaction equation
[BH4-:1].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:67][CH2:68][OH:69].[Ca+2:5].[Cl-:3].[Cl-:4].[ClH:54].[Na+:2].[OH2:61].[OH:6][C:7]([CH2:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])([c:16]1[n:17][cH:18][n:19]([C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:20]1)[c:40]1[cH:41][c:42]2[cH:43][cH:44][c:45]([C:50](=[O:51])[NH:52][CH3:53])[cH:46][c:47]2[cH:48][cH:49]1>>[OH:6][C:7]([CH2:8][CH2:9][OH:10])([c:16]1[n:17][cH:18][n:19]([C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:20]1)[c:40]1[cH:41][c:42]2[cH:43][cH:44][c:45]([C:50](=[O:51])[NH:52][CH3:53])[cH:46][c:47]2[cH:48][cH:49]1

Participants

11

Reactant 10

HCID 271Calcium CationHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 178485277HCID 178485277, 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-74bbf1541bcb4e93a0bfdc0755b75b9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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