Benzene → HCID 24739005, compound

HRID 1559800Notes

Reaction equation

HRID 1559800 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][O:19][c:20]4[c:21]([CH3:26])[cH:22][cH:23][cH:24][cH:25]4)=[O:27])[cH:14][cH:15]3)[o:9]2)[cH:28]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:50][CH2:51][OH:52].[Cl:54][CH2:55][Cl:56].[Na+:42].[Na+:43].[OH2:53].[OH2:57].[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[n:29]1[cH:30][c:31]([B:35]([OH:36])[OH:37])[cH:32][cH:33][cH:34]1>>[c:2]1(-[c:31]2[cH:30][n:29][cH:34][cH:33][cH:32]2)[cH:3][cH:4][c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][O:19][c:20]4[c:21]([CH3:26])[cH:22][cH:23][cH:24][cH:25]4)=[O:27])[cH:14][cH:15]3)[o:9]2)[cH:28]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 702EthanolHCID 923Sodium ion2×HCID 962Water2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 27343783-Pyridinylboronic acidHCID 24738687HCID 24738687, compound

Product 1

HCID 24739005HCID 24739005, compound

Sources & evidence

ORD record
ord-9169059813e244f4a8f97ad475cd99e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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