Ethanol → HCID 59402933, compound

HRID 201691Notes

Reaction equation

HRID 201691 reaction equation
[CH3:35][CH2:36][OH:37].[CH3:4][c:5]1[cH:6][cH:7][c:8]([S:9]([O:10][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][c:25]2[cH:26][c:27]([C:31](=[O:32])[NH2:33])[cH:28][cH:29][cH:30]2)(=[O:11])=[O:12])[cH:13][cH:14]1.[Na:1][C:2]#[N:3].[OH2:34]>>[C:2](#[N:3])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][c:25]1[cH:26][c:27]([C:31](=[O:32])[NH2:33])[cH:28][cH:29][cH:30]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 59402852HCID 59402852, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 59402933HCID 59402933, compound

Sources & evidence

ORD record
ord-66dac5139a9f4a32b1a5d7ea3fcbf999
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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