Benzenepropanoic acid → HCID 178520436, compound

HRID 1552915Notes

Reaction equation

HRID 1552915 reaction equation
[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH2:17][CH3:18])([CH3:19])[CH3:20].[NH2:21][c:22]1[nH:23][c:24]2[c:25]([n:26]1)[cH:27][cH:28][c:29]([O:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([NH:41][CH:42]3[CH2:43][CH2:44][CH2:45][CH2:46]3)[cH:39][cH:40]1)[cH:30]2.[c:1]1([CH2:7][CH2:8][C:9](=[O:10])[OH:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][C:9](=[O:11])[NH:21][c:22]2[n:23][c:24]3[c:25]([nH:26]2)[cH:27][cH:28][c:29]([O:31][S:32](=[O:33])(=[O:34])[c:35]2[cH:36][cH:37][c:38]([NH:41][CH:42]4[CH2:43][CH2:44][CH2:45][CH2:46]4)[cH:39][cH:40]2)[cH:30]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 107Benzenepropanoic acidHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 12018867HCID 12018867, compound

Product 1

HCID 178520436HCID 178520436, compound

Sources & evidence

ORD record
ord-90b234c18f2047d58899034066b35e98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…