Hydrochloric Acid → Hydrochloric Acid

HRID 86764Notes

Reaction equation

HRID 86764 reaction equation
[CH3:21][O:22][c:23]1[cH:24][c:25]([NH2:26])[cH:27][c:28]([O:32][CH3:33])[c:29]1[O:30][CH3:31].[CH3:35][CH2:36][O:37][CH2:38][CH3:39].[CH3:40][CH:41]([OH:42])[CH3:43].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:18](=[O:19])[O-:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH2:13])[cH:14][cH:15][cH:16][cH:17]2)[n:7]1.[ClH:34]>>[ClH:1].[c:2]1([NH:26][c:25]2[cH:24][c:23]([O:22][CH3:21])[c:29]([O:30][CH3:31])[c:28]([O:32][CH3:33])[cH:27]2)[n:3][cH:4][c:5]([N+:18](=[O:19])[O-:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH2:13])[cH:14][cH:15][cH:16][cH:17]2)[n:7]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 3776IsopropanolHCID 322853,4,5-TrimethoxyanilineHCID 57632411HCID 57632411, compound

Product 2

HCID 313Hydrochloric AcidHCID 98911822-[[5-Nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzamide

Sources & evidence

ORD record
ord-d0cd92bedc194d5790ae4dff59fa4a2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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