Cyanide → HCID 57471190, compound

HRID 680685Notes

Reaction equation

HRID 680685 reaction equation
[C-:96]#[N:97].[C-:99]#[N:100].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[CH2:13][CH2:12][CH:11]([NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH:10]2[CH2:25][c:26]1[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]1)(=[O:33])=[O:34].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41].[Zn+2:98]>>[c:7]1([C:35]#[N:36])[cH:8][c:9]2[c:14]([cH:15][cH:16]1)[CH2:13][CH2:12][CH:11]([NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH:10]2[CH2:25][c:26]1[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]1

Participants

7

Reactant 6

HCID 5975Cyanide2×HCID 6228DimethylformamideHCID 23938Palladium2×HCID 32051Zinc(2+)HCID 95417Dibenzylidene acetone3×HCID 574672047-(Tert-butoxycarbonylamino)-8-(4-chlorobenzyl)-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonate

Product 1

HCID 57471190HCID 57471190, compound

Sources & evidence

ORD record
ord-a2d1b35540594fc0abbbc1d7579d1025
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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