Benzyl Alcohol → tert-butyl 13-methyl-4-phenylmethoxy-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate

HRID 1144571

Reaction equation

HRID 1144571 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([Br:22])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[OH:30].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[H-:31].[Na+:32].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][cH:14][c:15]([O:30][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1

Participants

7

Reactant 6

HCID 244Benzyl AlcoholHCID 923Sodium ion3×HCID 1140TolueneHCID 19660Carbonate IonHCID 166653HydrideHCID 87797446Tert-butyl 4-bromo-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate

Product 1

HCID 178430774tert-butyl 13-methyl-4-phenylmethoxy-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate

Sources & evidence

ORD record
ord-f19bc44e060e4ba2b7f5e9cbc9ab7e71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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