Hydrochloric Acid → tert-Butyl 2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethylcarbamate

HRID 683683Notes

Reaction equation

HRID 683683 reaction equation
[BH3:4].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][S:2][CH3:3].[CH3:26][C:27]1([CH3:48])[O:28][CH2:29][c:30]2[c:31]([cH:33][cH:34][c:35]([C:37]([CH2:38][NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])=[O:47])[cH:36]2)[O:32]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:5][B:6]1[N:7]2[CH2:8][CH2:9][CH2:10][CH:11]2[C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[O:25]1.[ClH:49]>>[CH3:26][C:27]1([CH3:48])[O:28][CH2:29][c:30]2[c:31]([cH:33][cH:34][c:35]([CH:37]([CH2:38][NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[OH:47])[cH:36]2)[O:32]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 1068Dimethyl SulfideHCID 1140TolueneHCID 6331BoraneHCID 8028TetrahydrofuranHCID 5510901-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaboroleHCID 10870948Carbamic acid, [2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester

Product 1

HCID 21895584tert-Butyl 2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethylcarbamate

Sources & evidence

ORD record
ord-11b3b6fc495a45d9ac0b4ddf86e1576c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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