Acetic Acid → HCID 18780264, compound

HRID 1546409Notes

Reaction equation

HRID 1546409 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[C:39](=[O:40])([OH:41])[O-:42].[CH3:35][C:36](=[O:37])[OH:38].[CH3:54][S:55](=[O:56])[CH3:57].[Cl:44][c:45]1[n:46][cH:47][cH:48][cH:49][c:50]1[N+:51](=[O:52])[O-:53].[NH2:5][CH2:6][CH2:7][CH2:8][n:9]1[cH:10][c:11]([C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[C:21](=[O:33])[NH:20][C:19]2=[O:34])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[Na+:43].[OH2:58]>>[NH:5]([CH2:6][CH2:7][CH2:8][n:9]1[cH:10][c:11]([C:18]2=[C:22]([c:23]3[cH:24][n:25]([CH3:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[C:21](=[O:33])[NH:20][C:19]2=[O:34])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12)[c:45]1[n:46][cH:47][cH:48][cH:49][c:50]1[N+:51](=[O:52])[O-:53]

Participants

8

Reactant 7

HCID 176Acetic Acid2×HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 2403Ro 31-7549HCID 796132-Chloro-3-nitropyridine

Product 1

HCID 18780264HCID 18780264, compound

Sources & evidence

ORD record
ord-3b7ffbc86b8846e9960b293bd75083da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…