Acetic Acid → HCID 67344361, compound

HRID 306125Notes

Reaction equation

HRID 306125 reaction equation
[CH3:47][C:48](=[O:49])[OH:50].[CH:37]([O:38][CH2:39][CH3:40])([O:41][CH2:42][CH3:43])[O:44][CH2:45][CH3:46].[Fe:51].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([N+:34]([O-:35])=[O:36])[c:18]3[NH:19][CH:20]2[CH:21]([CH3:33])[CH2:22][N:23]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:24][CH2:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([NH:34][C:39](=[O:38])[CH3:40])[c:18]3[NH:19][CH:20]2[CH:21]([CH3:33])[CH2:22][N:23]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:24][CH2:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 23925IronHCID 31214Ethyl orthoformateHCID 67345125HCID 67345125, compound

Product 1

HCID 67344361HCID 67344361, compound

Sources & evidence

ORD record
ord-b87e23c76df34a03b82d3b4805f1cd25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…