Ammonium → 1-[3-(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dion-7-yl)-2-hydroxypropyl]-4-(3-phenylsulfinylpropyl)piperazine

HRID 185545Notes

Reaction equation

HRID 185545 reaction equation
[CH3:2][n:3]1[c:4](=[O:34])[n:5]([CH3:33])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH:14]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][CH2:24][S:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:20][CH2:21]3)[OH:32])[c:10]2[c:11]1=[O:12].[CH3:41][OH:42].[Cl:38][CH2:39][Cl:40].[ClH:1].[NH4+:44].[OH-:43].[OH2:37].[OH:35][OH:36]>>[CH3:2][n:3]1[c:4](=[O:34])[n:5]([CH3:33])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH:14]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][CH2:24][S:25]([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)=[O:35])[CH2:20][CH2:21]3)[OH:32])[c:10]2[c:11]1=[O:12]

Participants

9

Reactant 8

HCID 223AmmoniumHCID 313Hydrochloric AcidHCID 784Hydrogen PeroxideHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 54424Tazifylline

Product 1

HCID 144575171-[3-(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dion-7-yl)-2-hydroxypropyl]-4-(3-phenylsulfinylpropyl)piperazine

Sources & evidence

ORD record
ord-6b2eea445ad842f78757b092c33db545
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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