Citric Acid → {2-[(5-Vinyl-benzofuran-2-carbonyl)-amino]-phenyl}-carbamic acid tert-butyl ester

HRID 281130

Reaction equation

HRID 281130 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:15](=[O:16])[c:17]2[o:18][c:19]3[c:20]([cH:21]2)[cH:22][c:23]([Br:26])[cH:24][cH:25]3)[cH:10][cH:11][cH:12][cH:13]1)=[O:27].[CH2:31]([CH2:32][CH2:42][CH3:43])[O:33][B:34]([CH:35]=[CH2:36])[O:37][CH2:38][CH2:39][CH2:40][CH3:41].[CH3:28][O-:29].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][OH:65].[Na+:30].[OH:44][C:45]([CH2:46][C:47]([C:48](=[O:49])[OH:50])([CH2:51][C:52](=[O:53])[OH:54])[OH:55])=[O:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:15](=[O:16])[c:17]2[o:18][c:19]3[c:20]([cH:21]2)[cH:22][c:23]([CH:31]=[CH2:32])[cH:24][cH:25]3)[cH:10][cH:11][cH:12][cH:13]1)=[O:27]

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium ionHCID 1140TolueneHCID 236543Dibutyl Vinylboronate (stabilized with Phenothiazine)HCID 3826051MethoxideHCID 69487214{2-[(5-Bromo-benzofuran-2-carbonyl)-amino]-phenyl}-carbamic acid tert-butyl ester

Product 1

HCID 69490024{2-[(5-Vinyl-benzofuran-2-carbonyl)-amino]-phenyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-92169d6937784d89a5caf2b5c5306713
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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