Benzene → HCID 11177711, compound

HRID 2157000Notes

Reaction equation

HRID 2157000 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]([CH3:35])(=[O:36])[c:37]1[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]1.[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([C:34]([CH3:35])=[O:36])[cH:42][cH:41]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 37021224-Acetylphenylboronic 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 11177711HCID 11177711, compound

Sources & evidence

ORD record
ord-a7bf0f7981494839a456657bcb09aac2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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