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

HRID 1537523Notes

Reaction equation

HRID 1537523 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][c:5]([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:6][cH:7][cH:8]1.[CH3:23][N:24]([CH2:25][CH:26]=[CH:27][C:28](=[O:29])[OH:30])[CH3:31].[ClH:22]>>[C:1](#[CH:2])[c:3]1[cH:4][c:5]([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:6][cH:7][cH:8]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 533952454-(Dimethylamino)but-2-enoic acidHCID 58116839N-(3-Ethynylphenyl)-6,7-dihydro-5H-pyrrolo[3',4':4,5]thieno[2,3-d]pyrimidin-4-amine

Product 1

HCID 1239076254-(Dimethylamino)-1-[12-(3-ethynylanilino)-7-thia-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-yl]but-2-en-1-one

Sources & evidence

ORD record
ord-5eacfb9d21224a779d04d9e614443ae3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…