Methanol → HCID 136366884, compound

HRID 181076Notes

Reaction equation

HRID 181076 reaction equation
[CH3:31][OH:32].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[N:1]#[N:2].[OH:3][c:4]1[c:5](-[c:10]2[n:11][c:12]3[cH:13][c:14]([CH3:30])[cH:15][cH:16][c:17]3[c:18]([N:20]3[CH2:21][CH:22]([NH:26][C:27](=[O:28])[O-:29])[CH2:23][CH2:24][CH2:25]3)[n:19]2)[cH:6][cH:7][cH:8][cH:9]1>>[OH:3][c:4]1[c:5](-[c:10]2[n:11][c:12]3[cH:13][c:14]([CH3:30])[cH:15][cH:16][c:17]3[c:18]([N:20]3[CH2:21][CH:22]([NH2:26])[CH2:23][CH2:24][CH2:25]3)[n:19]2)[cH:6][cH:7][cH:8][cH:9]1

Participants

5

Reactant 4

HCID 887MethanolHCID 947NitrogenHCID 8857Ethyl AcetateHCID 178422898HCID 178422898, compound

Product 1

HCID 136366884HCID 136366884, compound

Sources & evidence

ORD record
ord-090bafaf7b31427bbdb90a6d489e4df0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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