Benzoic Acid → HCID 86605781, compound

HRID 2313091Notes

Reaction equation

[CH2:37]1[NH:38][CH2:39][CH2:40][NH:41][CH2:42]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[N:43]#[C:44][CH2:45][C:46]#[N:47].[OH2:63].[OH:48][C:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)=[O:56].[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[O:25])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[C:45]([C:44]#[N:43])[C:46]#[N:47])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1

Participants

Reactant 7

HCID 8010Malononitrile

HCID 8857Ethyl Acetate

HCID 866057753-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1-phenyl-1H-pyrazole-4-carbaldehyde

Product 1

HCID 86605781HCID 86605781, compound

Sources & evidence

ORD record: ord-bcedc78bbc8d46f7973b309d95f80b83
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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