Hydrochloric Acid → 1-[3-(3,4-Dichloroanilino)-8-thia-4,6,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one

HRID 197316Notes

Reaction equation

HRID 197316 reaction equation
[CH3:25][N:26]([CH2:27][CH:28]=[CH:29][C:30](=[O:31])[OH:32])[CH:33]([CH3:34])[CH3:35].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[c:15]2[c:16]2[c:17]([s:23]3)[CH2:18][NH:19][CH2:20][CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[Cl:8].[ClH:24]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[c:15]2[c:16]2[c:17]([s:23]3)[CH2:18][N:19]([C:30]([CH:29]=[CH:28][CH2:27][N:26]([CH3:25])[CH:33]([CH3:34])[CH3:35])=[O:31])[CH2:20][CH2:21][CH2:22]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 58116941N-(3,4-Dichlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5',4':4,5]thieno[2,3-c]azepin-4-amineHCID 789891274-[Methyl(propan-2-yl)amino]but-2-enoic acid

Product 1

HCID 668499861-[3-(3,4-Dichloroanilino)-8-thia-4,6,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one

Sources & evidence

ORD record
ord-9d95e5efb1ef402aa74d699b567afbed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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