Benzene → HCID 11441421, compound

HRID 2125626Notes

Reaction equation

HRID 2125626 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.[Cl:34][c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([Cl:34])[cH:40][cH:39]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 742994-Chlorophenylboronic 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 11441421HCID 11441421, compound

Sources & evidence

ORD record
ord-eef67b1f45294d0bb148095de4f135d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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