Benzene → HCID 11774251, compound

HRID 1145956Notes

Reaction equation

HRID 1145956 reaction equation
[BH:23]([OH:24])[OH:25].[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:21][cH:22]1)[N:6]([CH3:20])[C:7](=[O:19])[CH2:8][N:9]=[C:10]2[c:11]1[cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17][cH:18]1.[CH3:32][O:33][c:34]1[c:35]([B:42]([OH:43])[OH:44])[c:36]([O:40][CH3:41])[cH:37][cH:38][cH:39]1.[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[c:2]1(-[c:35]2[c:34]([O:33][CH3:32])[cH:39][cH:38][cH:37][c:36]2[O:40][CH3:41])[cH:3][c:4]2[c:5]([cH:21][cH:22]1)[N:6]([CH3:20])[C:7](=[O:19])[CH2:8][N:9]=[C:10]2[c:11]1[cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17][cH:18]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 61668Boronic AcidHCID 2734343(2,6-Dimethoxyphenyl)boronic acidHCID 69287689HCID 69287689, compound

Product 1

HCID 11774251HCID 11774251, compound

Sources & evidence

ORD record
ord-986f9e3724ea4a55b9ff07f993ad31ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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