Hydrochloric Acid → Hydrochloric Acid

HRID 94379Notes

Reaction equation

HRID 94379 reaction equation
[CH3:39][OH:40].[ClH:38].[F:3][c:4]1[c:5]([NH:6][c:7]2[n:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:19][CH2:20][CH2:21][n:22]4[cH:23][n:24][cH:25][cH:26]4)[c:14]([O:17][CH3:18])[cH:15][c:16]23)[cH:27][c:28]([O:32][C:33]([O:34][CH3:35])=[O:36])[c:29]([CH3:31])[cH:30]1.[Na+:2].[OH-:1].[OH2:37]>>[ClH:38].[F:3][c:4]1[c:5]([NH:6][c:7]2[n:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:19][CH2:20][CH2:21][n:22]4[cH:23][n:24][cH:25][cH:26]4)[c:14]([O:17][CH3:18])[cH:15][c:16]23)[cH:27][c:28]([OH:32])[c:29]([CH3:31])[cH:30]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 226250254-(2-Fluoro-5-methoxycarbonyloxy-4-methylanilino)-7-(2-(imidazol-1-yl)ethoxy)-6-methoxyquinazoline

Product 2

HCID 313Hydrochloric AcidHCID 15886048HCID 15886048, compound

Sources & evidence

ORD record
ord-f5566aea76714e628f0abc3d8912420e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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