Diethyl cyanophosphonate → HCID 58981139, compound

HRID 2343722Notes

Reaction equation

[C:46]([P:47](=[O:48])([O:49][CH2:50][CH3:51])[O:52][CH2:53][CH3:54])#[N:55].[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.[n:37]1([CH2:42][CH2:43][CH2:44][NH2:45])[cH:38][n:39][cH:40][cH:41]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])[NH:45][CH2:44][CH2:43][CH2:42][n:37]4[cH:38][n:39][cH:40][cH:41]4)[cH:24][n:25]3[CH3:26])[cH:6][nH:7][c:8]2[cH:9][cH:10]1

Participants

Reactant 3

HCID 76257Diethyl cyanophosphonate

HCID 787361H-Imidazole-1-propanamine

HCID 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 58981139HCID 58981139, compound

Sources & evidence

ORD record: ord-888b787b95ea49efb54b14a3acf20b43
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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