Piperazine → 2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-3-[1-methyl-4-(piperazin-1-ylcarbonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

HRID 281918Notes

Reaction equation

HRID 281918 reaction equation
[C:43]([P:44](=[O:45])([O:46][CH2:47][CH3:48])[O:49][CH2:50][CH3:51])#[N:52].[CH2:37]1[CH2:38][NH:39][CH2:40][CH2:41][NH:42]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][n:12]3[n:13][c:14]4[n:15]([CH2:33][CH:34]([CH3:35])[CH3:36])[c:16](=[O:32])[n:17]([CH3:31])[c:18](=[O:30])[c:19]4[c:20]3-[c:21]3[cH:22][c:23]([C:27](=[O:28])[OH:29])[cH:24][n:25]3[CH3:26])[cH:6][nH:7][c:8]2[cH:9][cH:10]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][n:12]3[n:13][c:14]4[n:15]([CH2:33][CH:34]([CH3:35])[CH3:36])[c:16](=[O:32])[n:17]([CH3:31])[c:18](=[O:30])[c:19]4[c:20]3-[c:21]3[cH:22][c:23]([C:27](=[O:28])[N:39]4[CH2:38][CH2:37][NH:42][CH2:41][CH2:40]4)[cH:24][n:25]3[CH3:26])[cH:6][nH:7][c:8]2[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 4837PiperazineHCID 76257Diethyl cyanophosphonateHCID 589810635-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid

Product 1

HCID 589811692-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-3-[1-methyl-4-(piperazin-1-ylcarbonyl)-1H-pyrrol-2-yl]-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Sources & evidence

ORD record
ord-ba7b4a824649409cbd9755ac7ddf44bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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