Hydrochloric Acid → 1-[3-(3,4-Dichloroanilino)-8-oxa-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 1202475Notes

Reaction equation

HRID 1202475 reaction equation
[CH3:24][N:25]([CH2:26][CH:27]=[CH:28][C:29](=[O:30])[OH:31])[CH:32]([CH3:33])[CH3:34].[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)[o:16][c:17]2[c:18]3[CH2:19][CH2:20][NH:21][CH2:22]2)[cH:5][cH:6][c:7]1[Cl:8].[ClH:23]>>[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)[o:16][c:17]2[c:18]3[CH2:19][CH2:20][N:21]([C:29]([CH:28]=[CH:27][CH2:26][N:25]([CH3:24])[CH:32]([CH3:33])[CH3:34])=[O:30])[CH2:22]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 58116965N-(3,4-Dichlorophenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]furo[2,3-d]pyrimidin-4-amineHCID 789891274-[Methyl(propan-2-yl)amino]but-2-enoic acid

Product 1

HCID 668503491-[3-(3,4-Dichloroanilino)-8-oxa-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-8968f7aa68184ae5a1b821240aa8356f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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