Ethanol → HCID 23114787, compound

HRID 2318169Notes

Reaction equation

HRID 2318169 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][CH2:41][OH:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([c:12]2[n:13][c:14]([CH:18]=[CH:19][c:20]3[n:21][cH:22][cH:23][cH:24][cH:25]3)[cH:15][cH:16][cH:17]2)[c:26]2[c:27]([F:33])[cH:28][cH:29][c:30]([F:32])[cH:31]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([c:12]2[n:13][c:14]([CH2:18][CH2:19][c:20]3[n:21][cH:22][cH:23][cH:24][cH:25]3)[cH:15][cH:16][cH:17]2)[c:26]2[c:27]([F:33])[cH:28][cH:29][c:30]([F:32])[cH:31]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 67102125HCID 67102125, compound

Product 1

HCID 23114787HCID 23114787, compound

Sources & evidence

ORD record
ord-f5f82314f59842d9a356eb67c1f32cbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…