Hydrochloric Acid → 1-[12-[3-Chloro-4-[(3-fluorophenyl)methoxy]anilino]-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 1235480Notes

Reaction equation

HRID 1235480 reaction equation
[CH3:31][N:32]([CH2:33][CH:34]=[CH:35][C:36](=[O:37])[OH:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][n:23]2)[s:24][c:25]2[c:26]3[CH2:27][NH:28][CH2:29]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[ClH:30]>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][n:23]2)[s:24][c:25]2[c:26]3[CH2:27][N:28]([C:36]([CH:35]=[CH:34][CH2:33][N:32]([CH3:31])[CH3:39])=[O:37])[CH2:29]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 533952454-(Dimethylamino)but-2-enoic acidHCID 58116925N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6,7-dihydro-5H-pyrrolo[3',4':4,5]thieno[2,3-d]pyrimidin-4-amine

Product 1

HCID 668505631-[12-[3-Chloro-4-[(3-fluorophenyl)methoxy]anilino]-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-f2d41667f9344eb380b0755f4ab21d4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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