Ethanol → HCID 13240334, compound

HRID 2329441Notes

Reaction equation

HRID 2329441 reaction equation
[CH3:47][CH2:48][OH:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[H:45][H:46].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][O:22][C:23](=[O:24])[C:25]3=[C:30]([CH3:31])[NH:29][C:28]([CH3:32])=[C:27]([C:33](=[O:34])[O:35][CH3:36])[CH:26]3[c:37]3[c:38]([Cl:44])[c:39]([Cl:43])[cH:40][cH:41][cH:42]3)[n:13][nH:14]2)[cH:8][cH:9]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][c:12]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][O:22][C:23](=[O:24])[C:25]3=[C:30]([CH3:31])[NH:29][C:28]([CH3:32])=[C:27]([C:33](=[O:34])[O:35][CH3:36])[CH:26]3[c:37]3[c:38]([Cl:44])[c:39]([Cl:43])[cH:40][cH:41][cH:42]3)[n:13][nH:14]2)[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8857Ethyl AcetateHCID 13240326HCID 13240326, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 13240334HCID 13240334, compound

Sources & evidence

ORD record
ord-59399f55b13f498dae9b14d369842631
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…