Hydrochloric Acid → 1-[12-(3-Chloro-4-fluoroanilino)-7-thia-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-yl]-4-(dimethylamino)but-2-en-1-one

HRID 173140

Reaction equation

HRID 173140 reaction equation
[CH3:23][N:24]([CH2:25][CH:26]=[CH:27][C:28](=[O:29])[OH:30])[CH3:31].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[s:16][c:17]2[c:18]3[CH2:19][NH:20][CH2:21]2)[cH:5][cH:6][c:7]1[F:8].[ClH:22]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[s:16][c:17]2[c:18]3[CH2:19][N:20]([C:28]([CH:27]=[CH:26][CH2:25][N:24]([CH3:23])[CH3:31])=[O:29])[CH2:21]2)[cH:5][cH:6][c:7]1[F:8]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 533952454-(Dimethylamino)but-2-enoic acidHCID 58116969N-(3-Chloro-4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3',4':4,5]thieno[2,3-d]pyrimidin-4-amine

Product 1

HCID 668501941-[12-(3-Chloro-4-fluoroanilino)-7-thia-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-yl]-4-(dimethylamino)but-2-en-1-one

Sources & evidence

ORD record
ord-f815ec3dc5084303ac11a1515b67a227
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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