Water → HCID 22261035, compound

HRID 293622Notes

Reaction equation

HRID 293622 reaction equation
[Br:1][c:2]1[c:3]([O:18][CH3:19])[cH:4][c:5]([F:17])[c:6]([C:8](=[O:9])[c:10]2[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]2)[cH:7]1.[C-:26]#[N:27].[C-:29]#[N:30].[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[O:33]=[C:34]([CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[OH2:20].[Pd:31].[Pd:32].[Zn+2:28]>>[c:2]1([C:21]#[N:22])[c:3]([O:18][CH3:19])[cH:4][c:5]([F:17])[c:6]([C:8](=[O:9])[c:10]2[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]2)[cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 5975Cyanide2×HCID 6228DimethylformamideHCID 23938Palladium2×HCID 32051Zinc(2+)HCID 95417Dibenzylidene acetone3×HCID 22260993(5-Bromo-2-fluoro-4-methoxy-phenyl)-(3-fluoro-phenyl)-methanone

Product 1

HCID 22261035HCID 22261035, compound

Sources & evidence

ORD record
ord-5dee36708d6540d0b20ac5a018edae2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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