Ethanol → HCID 59393682, compound

HRID 153778Notes

Reaction equation

HRID 153778 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([C:15]([CH:16]([CH3:17])[CH3:18])([CH3:19])[c:20]3[n:21][cH:22][c:23]([B:26]4[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]4)[cH:24][cH:25]3)[cH:13][cH:14]2)[cH:6][n:7][cH:8]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][CH2:57][OH:58].[Cl:35][c:36]1[n:37][n:38][c:39]([Cl:42])[cH:40][cH:41]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48]>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([C:15]([CH:16]([CH3:17])[CH3:18])([CH3:19])[c:20]3[n:21][cH:22][c:23](-[c:39]4[n:38][n:37][c:36]([Cl:35])[cH:41][cH:40]4)[cH:24][cH:25]3)[cH:13][cH:14]2)[cH:6][n:7][cH:8]1

Participants

7

Sources & evidence

ORD record
ord-ef4dd7fefb254fb288191fce677afbfa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…