Ethanol → HCID 67028969, compound

HRID 1149368Notes

Reaction equation

HRID 1149368 reaction equation
[CH3:53][CH2:54][O-:55].[CH3:57][CH2:58][OH:59].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([cH:12][cH:13][cH:14][cH:15]3)[c:16]2[CH2:17][n:18]2[c:19](=[O:27])[n:20][c:21]([NH:24][CH2:25][CH3:26])[cH:22][cH:23]2)[cH:6][cH:7]1.[Cl:28][c:29]1[cH:30][cH:31][n:32]([CH2:33][c:34]2[n:35]3[cH:36][cH:37][cH:38][cH:39][c:40]3[n:41][c:42]2-[c:43]2[cH:44][cH:45][c:46]([Cl:47])[cH:48][cH:49]2)[c:50](=[O:51])[n:52]1.[Na+:56]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([cH:12][cH:13][cH:14][cH:15]3)[c:16]2[CH2:17][n:18]2[c:19](=[O:27])[n:20][c:21]([O:55][CH2:54][CH3:53])[cH:22][cH:23]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 1194401-Hydroxyethyl radicalHCID 58337018HCID 58337018, compoundHCID 67028967HCID 67028967, compound

Product 1

HCID 67028969HCID 67028969, compound

Sources & evidence

ORD record
ord-855097a8a2334b4e8c3da7584d7c2bc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…