Ethanol → HCID 178480056, compound

HRID 697800Notes

Reaction equation

HRID 697800 reaction equation
[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:40][CH2:41][OH:42].[CH3:4][C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([CH:19]=[C:20]2[C:21](=[O:28])[N:22]=[C:23]([S:26][CH3:27])[N:24]2[CH3:25])[cH:11][c:12]([C:15]([CH3:16])([CH3:17])[CH3:18])[c:13]1[OH:14].[K+:34].[NH2:1][C:2]#[N:3].[OH2:43].[P:35](=[O:36])([OH:37])([OH:38])[OH:39]>>[N:1]#[C:2][NH:3][C:23]1=[N:22][C:21](=[O:28])[C:20](=[CH:19][c:10]2[cH:9][c:8]([C:5]([CH3:4])([CH3:6])[CH3:7])[c:13]([OH:14])[c:12]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:11]2)[N:24]1[CH3:25]

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 1004Phosphoric AcidHCID 9864CyanamideHCID 45749132-Methylpropan-2-olateHCID 54334135HCID 54334135, compound

Product 1

HCID 178480056HCID 178480056, compound

Sources & evidence

ORD record
ord-f392719641864460b7f1437fb1828f4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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