Toluene → HCID 178440817, compound

HRID 2328389Notes

Reaction equation

HRID 2328389 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:7][CH:8]2[CH2:9][CH2:10][N:11]([C:14]([C:15](=[O:16])[OH:17])=[O:18])[CH2:12][CH2:13]2)[cH:19][cH:20][cH:21][cH:22]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[nH:29]1[n:30][n:31][n:32][c:33]1[NH2:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:7][CH:8]2[CH2:9][CH2:10][N:11]([C:14]([C:15](=[O:16])[NH:34][c:33]3[n:29][n:30][n:31][nH:32]3)=[O:18])[CH2:12][CH2:13]2)[cH:19][cH:20][cH:21][cH:22]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 59577113HCID 59577113, compoundHCID 178509299HCID 178509299, compound

Product 1

HCID 178440817HCID 178440817, compound

Sources & evidence

ORD record
ord-886d9ea41ac94005b61bbb5928aba853
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…