3-Chloro-4-fluoroaniline → Hydrochloric Acid

HRID 319185Notes

Reaction equation

HRID 319185 reaction equation
[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:28])[C:10]2=[CH:11][c:12]1[nH:13][c:14]([CH3:27])[c:15]([CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[c:16]1[CH3:17].[Cl:29][c:30]1[cH:31][c:32]([NH2:37])[cH:33][cH:34][c:35]1[F:36]>>[ClH:1].[c:2]1([NH:37][c:32]2[cH:31][c:30]([Cl:29])[c:35]([F:36])[cH:34][cH:33]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:28])[C:10]2=[CH:11][c:12]1[nH:13][c:14]([CH3:27])[c:15]([CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[c:16]1[CH3:17]

Participants

4

Reactant 2

HCID 97083-Chloro-4-fluoroanilineHCID 854341704-chloro-5-[3,5-dimethyl-4-(3-morpholin-4-yl-propyl)-1H-pyrrol-2-ylmethylene]-5,7-dihydro-pyrrolo [2,3-d]pyrimidin-6-one

Product 2

HCID 313Hydrochloric AcidHCID 697944334-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-morpholin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one

Sources & evidence

ORD record
ord-bbdb7a97faea4c22a5aaa941ae389dc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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