Hydrochloric Acid → HCID 58015121, compound

HRID 206112Notes

Reaction equation

HRID 206112 reaction equation
[CH3:34][CH2:35][OH:36].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:13])([F:14])[C:10](=[O:12])[NH:11]2.[ClH:33].[NH2:21][c:22]1[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]1>>[c:2]1([NH:21][c:22]2[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]2)[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:13])([F:14])[C:10](=[O:12])[NH:11]2

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 2880572486-69-3HCID 579556112-Chloro-9-cyclopentyl-7,7-difluoro-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one

Product 1

HCID 58015121HCID 58015121, compound

Sources & evidence

ORD record
ord-305bbfc7cce741d991b7208d1afc6dec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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