Benzene → HCID 11223486, compound

HRID 2156293Notes

Reaction equation

HRID 2156293 reaction equation
[BH:25]([OH:26])[OH:27].[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:21][c:22]1[O:23][CH3:24])[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.[C:34](#[N:35])[c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:2]1(-[c:39]2[cH:38][cH:37][c:36]([C:34]#[N:35])[cH:41][cH:40]2)[cH:3][c:4]2[c:5]([cH:21][c:22]1[O:23][CH3:24])[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 27343264-Cyanophenylboronic acidHCID 692877383-(7-bromo-8-methoxy-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-benzonitrile

Product 1

HCID 11223486HCID 11223486, compound

Sources & evidence

ORD record
ord-8c2d45d8a5194f7cad57796a6a061296
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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