Ethanol → HCID 21198568, compound

HRID 2149274Notes

Reaction equation

HRID 2149274 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[S:6](=[O:7])(=[O:8])[NH:9][C:10]([c:11]1[cH:12][c:13]([NH:20][CH2:21][c:22]2[c:23]([Cl:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[c:14]([N+:17]([O-:18])=[O:19])[cH:15][cH:16]1)=[O:30].[CH3:36][CH2:37][OH:38].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:39]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[S:6](=[O:7])(=[O:8])[NH:9][C:10]([c:11]1[cH:12][c:13]([NH:20][CH2:21][c:22]2[c:23]([Cl:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[c:14]([NH2:17])[cH:15][cH:16]1)=[O:30]

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 8028TetrahydrofuranHCID 21198573HCID 21198573, compound

Product 1

HCID 21198568HCID 21198568, compound

Sources & evidence

ORD record
ord-23f264743c4d48e28e551f6bdd9e2d9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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