Water → HCID 23509618, compound

HRID 105849Notes

Reaction equation

HRID 105849 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:11])[c:5]([CH2:8][C:9]#[N:10])[cH:6][cH:7]1.[CH3:12][C:13]1([CH3:27])[O:14][C:15](=[O:26])[NH:16][c:17]2[c:18]1[cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]2.[OH2:28]>>[c:2]1(-[c:20]2[cH:19][c:18]3[c:17]([cH:22][cH:21]2)[NH:16][C:15](=[O:26])[O:14][C:13]3([CH3:12])[CH3:27])[cH:3][c:4]([F:11])[c:5]([CH2:8][C:9]#[N:10])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 962WaterHCID 71723082-(4-Bromo-2-fluorophenyl)acetonitrileHCID 10987806(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

Product 1

HCID 23509618HCID 23509618, compound

Sources & evidence

ORD record
ord-1e77a96769b04d96955ab6081812d775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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