Methanol → tert-Butyl carbamate

HRID 158603Notes

Reaction equation

HRID 158603 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH2:7])=[O:8].[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH3:51][OH:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[NH2:9][CH2:10][CH2:11][NH:12][S:13](=[O:14])(=[O:15])[c:16]1[c:17]2[cH:18][cH:19][n:20][cH:21][c:22]2[cH:23][c:24]([Br:26])[cH:25]1.[Na+:43].[Na+:44].[c:27]1([B:33]2[O:34][CH2:35][CH2:36][CH2:37][O:38]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH2:7])=[O:8].[NH2:9][CH2:10][CH2:11][NH:12][S:13](=[O:14])(=[O:15])[c:16]1[c:17]2[cH:18][cH:19][n:20][cH:21][c:22]2[cH:23][c:24](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:25]1

Participants

10

Reactant 8

HCID 887MethanolHCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 77922tert-Butyl carbamateHCID 642685Phenylboronic acid 1,3-propanediol esterHCID 58816122HCID 58816122, compound

Product 2

HCID 77922tert-Butyl carbamateHCID 112903567-Phenyl-isoquinoline-5-sulfonic acid (2-amino-ethyl)-amide

Sources & evidence

ORD record
ord-b3fcd5c2a290470db508f847b21feba3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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