Benzoic Acid → HCID 57513868, compound

HRID 211748Notes

Reaction equation

HRID 211748 reaction equation
[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][C:37]#[N:38].[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11]([CH2:12][N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)=[O:19])[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1.[OH:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:21](=[O:20])[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[CH2:17][CH2:18]3)=[O:19])[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1

Participants

5

Reactant 4

HCID 243Benzoic AcidHCID 1140TolueneHCID 6342AcetonitrileHCID 57442330HCID 57442330, compound

Product 1

HCID 57513868HCID 57513868, compound

Sources & evidence

ORD record
ord-98ff5e229e2c43cba79fbf8ac767247d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…