Ethanol → Cimetidine

HRID 167288Notes

Reaction equation

HRID 167288 reaction equation
[C:3](#[N:4])[NH:5][C:6]([O:7][CH2:8][CH3:9])=[N:10][CH2:11][CH2:12][S:13][CH2:14][c:15]1[c:16]([CH3:20])[n:17][cH:18][nH:19]1.[CH3:1][NH2:2].[CH3:21][CH2:22][OH:23].[OH2:24]>>[CH3:1][NH:2][C:6]([NH:5][C:3]#[N:4])=[N:10][CH2:11][CH2:12][S:13][CH2:14][c:15]1[c:16]([CH3:20])[n:17][cH:18][nH:19]1

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 6329MethylamineHCID 178468270HCID 178468270, compound

Product 1

HCID 178485005Cimetidine

Sources & evidence

ORD record
ord-fe9b9db227ee485996c2e25d8f6f061d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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