Water → Isoquinoline-6-carbonitrile

HRID 168286

Reaction equation

HRID 168286 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7][cH:8][c:9]2[cH:10][cH:11]1.[C-:24]#[N:25].[C-:27]#[N:28].[CH3:12][CH2:13][O:14][C:15](=[O:16])[CH3:17].[CH3:19][N:20]([CH3:21])[CH:22]=[O:23].[OH2:18].[Zn+2:26].[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105]1>>[c:2]1([C:19]#[N:20])[cH:3][c:4]2[cH:5][cH:6][n:7][cH:8][c:9]2[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 962WaterHCID 5975Cyanide2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 32051Zinc(2+)HCID 3136816-BromoisoquinolineHCID 178420554HCID 178420554, compound

Product 1

HCID 23130705Isoquinoline-6-carbonitrile

Sources & evidence

ORD record
ord-303302a083dd45fdb71400d980f68469
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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