Hydrochloric Acid → 3-[(4-{[(4-Acetyl-3-hydroxy-2-methyl-phenyl)-methyl-amino]-methyl}-phenyl)-hydroxy-methyl]-benzonitrile

HRID 118252Notes

Reaction equation

HRID 118252 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:29])[c:6]([CH3:28])[c:7]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH:18]([c:19]3[cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26]3)[OH:27])[cH:16][cH:17]2)[cH:8][cH:9]1.[CH2:30]=[O:31].[CH3:33][C:34]#[N:35].[ClH:32]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:29])[c:6]([CH3:28])[c:7]([N:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([CH:18]([c:19]3[cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26]3)[OH:27])[cH:16][cH:17]2)[CH3:30])[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 6342AcetonitrileHCID 666995203-({4-[(4-Acetyl-3-hydroxy-2-methyl-phenylamino)-methyl]-phenyl}-hydroxy-methyl)-benzonitrile

Product 1

HCID 666995023-[(4-{[(4-Acetyl-3-hydroxy-2-methyl-phenyl)-methyl-amino]-methyl}-phenyl)-hydroxy-methyl]-benzonitrile

Sources & evidence

ORD record
ord-77e9fdf028534217bbfd965940035b7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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