2-Bromobenzonitrile → HCID 54768836, compound

HRID 2128995Notes

Reaction equation

HRID 2128995 reaction equation
[Br:16][c:17]1[cH:18][cH:19][cH:20][cH:21][c:22]1[C:23]#[N:24].[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([C:33]2=[CH:42][CH2:41][C:36]3([CH2:35][CH2:34]2)[O:37][CH2:38][CH2:39][O:40]3)[O:43]1.[NH:44]1[CH2:45][CH:46]([NH:48][C:49]([CH2:50][NH:51][c:52]2[n:53][cH:54][n:55][c:56]3[cH:57][cH:58][c:59]([C:62]([F:63])([F:64])[F:65])[cH:60][c:61]23)=[O:66])[CH2:47]1.[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([c:8]2[c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14][cH:15]2)[CH2:6][CH2:7]1>>[CH:2]1([N:44]2[CH2:45][CH:46]([NH:48][C:49]([CH2:50][NH:51][c:52]3[n:53][cH:54][n:55][c:56]4[cH:57][cH:58][c:59]([C:62]([F:63])([F:64])[F:65])[cH:60][c:61]34)=[O:66])[CH2:47]2)[CH2:3][CH2:4][CH:5]([c:8]2[c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14][cH:15]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 162722-BromobenzonitrileHCID 36970768-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-eneHCID 21187698HCID 21187698, compoundHCID 68003594N-(azetidin-3-yl)-2((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide

Product 1

HCID 54768836HCID 54768836, compound

Sources & evidence

ORD record
ord-d386e3326f364a9986083168435b3f0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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