Acetic Acid → HCID 20335735, compound

HRID 2337095Notes

Reaction equation

HRID 2337095 reaction equation
[CH2:24]1[CH2:25][CH2:26][NH:27][CH2:28]1.[CH3:30][C:31](=[O:32])[OH:33].[O:1]=[c:2]1[nH:3][n:4][c:5]2[n:6]1-[c:7]1[c:8]([n:19][c:20]([Cl:23])[cH:21][cH:22]1)[C:9]([c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)=[N:10][CH2:11]2.[OH2:29]>>[O:1]=[c:2]1[nH:3][n:4][c:5]2[n:6]1-[c:7]1[c:8]([n:19][c:20]([N:27]3[CH2:26][CH2:25][CH2:24][CH2:28]3)[cH:21][cH:22]1)[C:9]([c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)=[N:10][CH2:11]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 31268PyrrolidineHCID 20335792HCID 20335792, compound

Product 1

HCID 20335735HCID 20335735, compound

Sources & evidence

ORD record
ord-5e55cc70af584ef9b6f374bf86631887
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…