Ammonium → 3-Benzyl-2-(biphenyl-4-ylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

HRID 124634

Reaction equation

HRID 124634 reaction equation
[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[n:31]([CH2:51][c:52]2[cH:53][cH:54][c:55](-[c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[cH:56][cH:57]2)[n:32][c:33]2[n:34]([CH2:42][c:43]3[cH:44][cH:45][c:46]([O:47][CH3:48])[cH:49][cH:50]3)[c:35](=[O:41])[n:36]([CH3:40])[c:37](=[O:39])[c:38]12.[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[Ce+4:5].[N+:11]([O-:12])([O-:13])=[O:14].[N+:15]([O-:16])([O-:17])=[O:18].[N+:19]([O-:20])([O-:21])=[O:22].[N+:1]([O-:2])([O-:3])=[O:4].[N+:7]([O-:8])([O-:9])=[O:10].[NH4+:6].[OH2:64]>>[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[n:31]([CH2:51][c:52]2[cH:53][cH:54][c:55](-[c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[cH:56][cH:57]2)[n:32][c:33]2[nH:34][c:35](=[O:41])[n:36]([CH3:40])[c:37](=[O:39])[c:38]12

Participants

7

Reactant 6

HCID 223AmmoniumHCID 943Nitrate5×HCID 962WaterHCID 8028TetrahydrofuranHCID 119438Cerium(4+)HCID 667956863-benzyl-2-(biphenyl-4-ylmethyl)-7-(4-methoxybenzyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Product 1

HCID 1363512593-Benzyl-2-(biphenyl-4-ylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Sources & evidence

ORD record
ord-3b79dfecfb784c03af7123d0041e3021
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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