Ethanol → HCID 68464556, compound

HRID 666289Notes

Reaction equation

HRID 666289 reaction equation
[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[n:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([O:33][CH2:34][CH2:35][CH2:36][S:37](=[O:38])(=[O:39])[CH3:40])[cH:15][c:16]2[cH:17][c:18]([C:21]3=[N:25][CH2:24][CH:23]([CH2:26][N:27]4[CH2:28][CH2:29][S:30][CH2:31][CH2:32]4)[S:22]3)[nH:19][c:20]12.[CH3:41][CH2:42][OH:43].[Na+:49].[Na+:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:44].[S:45]([O-:46])([O-:47])=[O:48]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[n:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([O:33][CH2:34][CH2:35][CH2:36][S:37](=[O:38])(=[O:39])[CH3:40])[cH:15][c:16]2[cH:17][c:18]([C:21]3=[N:25][CH2:24][CH:23]([CH2:26][N:27]4[CH2:28][CH2:29][S:30](=[O:43])[CH2:31][CH2:32]4)[S:22]3)[nH:19][c:20]12

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1099SulfiteHCID 8028TetrahydrofuranHCID 67487327HCID 67487327, compound

Product 1

HCID 68464556HCID 68464556, compound

Sources & evidence

ORD record
ord-ef0eb0959c804d398cb6443fd3ab1e79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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