Hydrochloric Acid → 1-[3-(3-Hydroxyanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one

HRID 688191Notes

Reaction equation

HRID 688191 reaction equation
[CH3:23][N:24]([CH2:25][CH:26]=[CH:27][C:28](=[O:29])[OH:30])[CH:31]([CH3:32])[CH3:33].[ClH:22].[n:1]1[cH:2][n:3][c:4]([NH:14][c:15]2[cH:16][c:17]([OH:21])[cH:18][cH:19][cH:20]2)[c:5]2[c:6]1[s:7][c:8]1[c:9]2[CH2:10][CH2:11][NH:12][CH2:13]1>>[n:1]1[cH:2][n:3][c:4]([NH:14][c:15]2[cH:16][c:17]([OH:21])[cH:18][cH:19][cH:20]2)[c:5]2[c:6]1[s:7][c:8]1[c:9]2[CH2:10][CH2:11][N:12]([C:28]([CH:27]=[CH:26][CH2:25][N:24]([CH3:23])[CH:31]([CH3:32])[CH3:33])=[O:29])[CH2:13]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 581167963-(5,6,7,8-Tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylamino)phenolHCID 789891274-[Methyl(propan-2-yl)amino]but-2-enoic acid

Product 1

HCID 668504211-[3-(3-Hydroxyanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one

Sources & evidence

ORD record
ord-5581436ef93340e79f80908fffe9083a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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