Ethanol → HCID 178431325, compound

HRID 290876Notes

Reaction equation

HRID 290876 reaction equation
[CH3:48][CH2:49][OH:50].[CH:7]1([S:12][c:13]2[cH:14][c:15]([CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][N:27]3[C:28](=[O:44])[O:29][CH:30]([c:32]4[cH:33][c:34]5[c:35]([cH:42][cH:43]4)[O:36][C:37]([CH3:40])([CH3:41])[O:38][CH2:39]5)[CH2:31]3)[cH:45][cH:46][cH:47]2)[CH2:8][CH2:9][CH2:10][CH2:11]1.[I+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[Na+:6].[OH2:51]>>[O:2]=[S:12]([CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)[c:13]1[cH:14][c:15]([CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][N:27]2[C:28](=[O:44])[O:29][CH:30]([c:32]3[cH:33][c:34]4[c:35]([cH:42][cH:43]3)[O:36][C:37]([CH3:40])([CH3:41])[O:38][CH2:39]4)[CH2:31]2)[cH:45][cH:46][cH:47]1

Participants

6

Sources & evidence

ORD record
ord-89ef18ceabbb4d1b94a2cb6c1d2dfd25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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