Ethanol → HCID 10064279, compound

HRID 1115819Notes

Reaction equation

HRID 1115819 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][N:9]1[C:10](=[O:30])[c:11]2[n:12][cH:13][c:14]3[c:15]([c:16]2[CH2:17]1)[cH:18][cH:19][n:20]3[CH2:21][c:22]1[c:23]([F:29])[cH:24][c:25]([F:28])[cH:26][cH:27]1.[CH2:31]([O:32][N:33]1[CH2:34][c:35]2[c:36]([n:37][cH:38][c:39]3[nH:40][cH:41][cH:42][c:43]23)[C:44]1=[O:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:89][CH2:90][OH:91].[F:52][c:53]1[cH:54][c:55]([F:56])[cH:57][cH:58][c:59]1[CH2:60][Br:61].[F:62][c:63]1[cH:64][c:65]([F:66])[cH:67][cH:68][c:69]1[CH2:70][n:71]1[c:72]2[cH:73][n:74][c:75]([C:76]([O:77][CH2:78][CH3:79])=[O:80])[cH:81][c:82]2[c:83]([CH2:84][O:85][CH2:86][CH3:87])[cH:88]1.[OH-:92].[OH-:94].[Pd+2:93]>>[OH:8][N:9]1[C:10](=[O:30])[c:11]2[n:12][cH:13][c:14]3[c:15]([c:16]2[CH2:17]1)[cH:18][cH:19][n:20]3[CH2:21][c:22]1[c:23]([F:29])[cH:24][c:25]([F:28])[cH:26][cH:27]1

Participants

8

Reactant 7

HCID 702EthanolHCID 961Hydroxide2×HCID 902971-(Bromomethyl)-2,4-difluorobenzeneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21892210HCID 21892210, compoundHCID 21892214HCID 21892214, compoundHCID 21892237HCID 21892237, compound

Product 1

HCID 10064279HCID 10064279, compound

Sources & evidence

ORD record
ord-3d51dddd426349e29f20f4ef1dc53d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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