Benzoic Acid → HCID 13649194, compound

HRID 701941Notes

Reaction equation

HRID 701941 reaction equation
[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[Cl:17][C:18]([O:19][CH2:20][CH:21]([CH3:22])[CH3:23])=[O:24].[N:25]1([C:31](=[O:32])[c:33]2[cH:34][c:35]3[c:39]([cH:40][cH:41]2)[NH:38][C:37](=[O:42])[CH2:36]3)[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:28]1[CH2:27][CH2:26][N:25]([C:31](=[O:32])[c:33]2[cH:34][c:35]3[c:39]([cH:40][cH:41]2)[NH:38][C:37](=[O:42])[CH2:36]3)[CH2:30][CH2:29]1

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 62365Isobutyl chloroformateHCID 13649191HCID 13649191, compound

Product 1

HCID 13649194HCID 13649194, compound

Sources & evidence

ORD record
ord-98152064caba4a668b57a91c0947b7ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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