Hydrochloric Acid → Hydrochloric Acid

HRID 1224107Notes

Reaction equation

HRID 1224107 reaction equation
[CH3:37][CH:38]([OH:39])[CH2:40][CH2:41][CH3:42].[CH:33]([OH:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[cH:3][n:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][c:16]3[n:17]([CH3:21])[cH:18][cH:19][n:20]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12.[ClH:32].[F:22][c:23]1[c:24]([NH2:25])[cH:26][c:27]([OH:31])[c:28]([CH3:30])[cH:29]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[ClH:1].[c:2]1([NH:25][c:24]2[c:23]([F:22])[cH:29][c:28]([CH3:30])[c:27]([OH:31])[cH:26]2)[cH:3][n:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][c:16]3[n:17]([CH3:21])[cH:18][cH:19][n:20]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 6228DimethylformamideHCID 223862-PentanolHCID 101540985-Amino-4-fluoro-2-methylphenolHCID 219910194-Chloro-6-methoxy-7-[(1-methylimidazol-2-yl)methoxy]cinnoline

Product 2

HCID 313Hydrochloric AcidHCID 219910254-Fluoro-5-[[6-methoxy-7-[(1-methylimidazol-2-yl)methoxy]cinnolin-4-yl]amino]-2-methylphenol

Sources & evidence

ORD record
ord-ebbabc3fa78b461f96fa7773b58f09d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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