Hydrochloric Acid → Hydrochloric Acid

HRID 686895Notes

Reaction equation

HRID 686895 reaction equation
[CH3:55][C:56]#[N:57].[Cl:2][c:3]1[n:4][cH:5][n:6][c:7]2[cH:8][cH:9][c:10](-[c:13]3[cH:14][cH:15][c:16]([CH:18]=[O:19])[o:17]3)[cH:11][c:12]12.[Cl:38][c:39]1[cH:40][c:41]([NH2:42])[cH:43][cH:44][c:45]1[O:46][CH2:47][c:48]1[cH:49][c:50]([F:54])[cH:51][cH:52][cH:53]1.[ClH:1].[O:20]=[c:21]1[c:22]2[c:23]([cH:24][cH:25][c:26](-[c:27]3[o:28][c:29]([CH:30]=[O:31])[cH:32][cH:33]3)[cH:34]2)[n:35][cH:36][nH:37]1>>[ClH:2].[c:3]1([NH:42][c:41]2[cH:40][c:39]([Cl:38])[c:45]([O:46][CH2:47][c:48]3[cH:49][c:50]([F:54])[cH:51][cH:52][cH:53]3)[cH:44][cH:43]2)[n:4][cH:5][n:6][c:7]2[cH:8][cH:9][c:10](-[c:13]3[cH:14][cH:15][c:16]([CH:18]=[O:19])[o:17]3)[cH:11][c:12]12

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 70592633-Chloro-4-(3-fluorobenzyloxy)anilineHCID 533908215-(4-Chloroquinazolin-6-yl)furan-2-carbaldehydeHCID 1361626165-(4-Hydroxy-6-quinazolinyl)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-d5a6a451234d436faf72546839c10773
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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