Hydrochloric Acid → Hydrochloric Acid

HRID 160616Notes

Reaction equation

HRID 160616 reaction equation
[Cl:25][c:26]1[cH:27][c:28]([NH2:29])[cH:30][cH:31][c:32]1[O:33][CH2:34][c:35]1[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]1.[Cl:7][c:8]1[n:9][cH:10][n:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([CH:23]=[O:24])[o:22]3)[cH:16][c:17]12.[ClH:42].[ClH:6].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[nH:1]1[cH:2][cH:3][n:4][cH:5]1>>[ClH:7].[c:8]1([NH:29][c:28]2[cH:27][c:26]([Cl:25])[c:32]([O:33][CH2:34][c:35]3[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]3)[cH:31][cH:30]2)[n:9][cH:10][n:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([CH:23]=[O:24])[o:22]3)[cH:16][c:17]12

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 795ImidazoleHCID 6228DimethylformamideHCID 70592633-Chloro-4-(3-fluorobenzyloxy)anilineHCID 533908215-(4-Chloroquinazolin-6-yl)furan-2-carbaldehyde

Product 2

HCID 313Hydrochloric AcidHCID 11181296(5-(4-(4-((3-Fluorobenzyl)oxy)-3-chloroanilino)-6-quinazolinyl)-2-furancarboxaldehyde

Sources & evidence

ORD record
ord-4c2724c0604f40fd90a6d4d131893aa2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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