Hydrochloric Acid → 1-[12-[3-Chloro-4-(pyridin-2-ylmethoxy)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 1561036Notes

Reaction equation

HRID 1561036 reaction equation
[CH3:30][N:31]([CH2:32][CH:33]=[CH:34][C:35](=[O:36])[OH:37])[CH3:38].[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[s:23][c:24]2[c:25]3[CH2:26][NH:27][CH2:28]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1.[ClH:29]>>[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[s:23][c:24]2[c:25]3[CH2:26][N:27]([C:35]([CH:34]=[CH:33][CH2:32][N:31]([CH3:30])[CH3:38])=[O:36])[CH2:28]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 533952454-(Dimethylamino)but-2-enoic acidHCID 58116922N-[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3',4':4,5]thieno[2,3-d]pyrimidin-4-amine

Product 1

HCID 668496221-[12-[3-Chloro-4-(pyridin-2-ylmethoxy)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-ad817ace96a94529bae0557c53632167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…