Hydrochloric Acid → 3-methoxy-4-[9-(2-methoxy-ethyl)-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino]-benzoic acid

HRID 93354

Reaction equation

HRID 93354 reaction equation
[CH3:31][CH2:32][OH:33].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:18]1)[N:7]([CH2:14][CH2:15][O:16][CH3:17])[CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12].[ClH:34].[NH2:19][c:20]1[c:21]([O:29][CH3:30])[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]1.[OH2:35]>>[c:2]1([NH:19][c:20]2[c:21]([O:29][CH3:30])[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]2)[n:3][cH:4][c:5]2[c:6]([n:18]1)[N:7]([CH2:14][CH2:15][O:16][CH3:17])[CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 962WaterHCID 2880572486-69-3HCID 866175782-Chloro-9-(2-methoxy-ethyl)-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 687404513-methoxy-4-[9-(2-methoxy-ethyl)-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino]-benzoic acid

Sources & evidence

ORD record
ord-773131fe9aa641fe814f589cad1f4657
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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