Benzoic Acid → HCID 22254774, compound

HRID 2327498Notes

Reaction equation

HRID 2327498 reaction equation
[CH3:1][C:2]1([NH2:26])[CH2:3][O:4][CH:5]([c:8]2[nH:9][c:10](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[c:11](-[c:13]3[cH:14][cH:15][n:16][cH:17][cH:18]3)[n:12]2)[O:6][CH2:7]1.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[OH:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][C:2]1([NH:26][C:28](=[O:27])[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:3][O:4][CH:5]([c:8]2[n:9][c:10](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[c:11](-[c:13]3[cH:14][cH:15][n:16][cH:17][cH:18]3)[nH:12]2)[O:6][CH2:7]1

Participants

5

Reactant 4

HCID 243Benzoic AcidHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 178433438HCID 178433438, compound

Product 1

HCID 22254774HCID 22254774, compound

Sources & evidence

ORD record
ord-ecc7ec18d7264658b9215155e6d2238b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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