Benzoic Acid → HCID 20217498, compound

HRID 309852Notes

Reaction equation

HRID 309852 reaction equation
[CH3:30][C:31]#[N:32].[NH2:10][c:11]1[n:12][c:13]2[n:14][c:15]([O:21][c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[cH:16][cH:17][c:18]2[cH:19][cH:20]1.[OH2:33].[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)[NH:10][c:11]1[n:12][c:13]2[n:14][c:15]([O:21][c:22]3[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[cH:16][cH:17][c:18]2[cH:19][cH:20]1

Participants

5

Reactant 4

HCID 243Benzoic AcidHCID 962WaterHCID 6342AcetonitrileHCID 20217515HCID 20217515, compound

Product 1

HCID 20217498HCID 20217498, compound

Sources & evidence

ORD record
ord-86df948e44aa463e972f64bc1808b3b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…