Acetic Acid → 9-Butyl-2-chloro-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

HRID 91842Notes

Reaction equation

HRID 91842 reaction equation
[C:4]([CH3:6])([CH3:7])([O:8][C:9](=[O:5])[CH2:10][CH2:11][N:12]([CH2:13][CH2:14][CH2:15][CH3:16])[c:17]1[n:18][c:19]([Cl:24])[n:20][cH:21][c:22]1[NH2:23])[CH3:25].[CH3:1][CH2:2][OH:3].[CH3:26][C:27](=[O:28])[OH:29]>>[O:8]=[C:9]1[CH2:10][CH2:11][N:12]([CH2:13][CH2:14][CH2:15][CH3:16])[c:17]2[n:18][c:19]([Cl:24])[n:20][cH:21][c:22]2[NH:23]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 702EthanolHCID 86623417HCID 86623417, compound

Product 1

HCID 866234189-Butyl-2-chloro-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Sources & evidence

ORD record
ord-101598c256714ee9acd731ec5df34466
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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