Diethyl cyanophosphonate → HCID 58980937, compound

HRID 1201519Notes

Reaction equation

[C:48]([P:49](=[O:50])([O:51][CH2:52][CH3:53])[O:54][CH2:55][CH3:56])#[N:57].[CH3:37][N:38]1[CH2:39][CH2:40][N:41]([CH2:44][CH2:45][CH2:46][NH2:47])[CH2:42][CH2:43]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:29])[NH:47][CH2:46][CH2:45][CH2:44][N:41]4[CH2:40][CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]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 783281-(3-Aminopropyl)-4-methylpiperazine

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 58980937HCID 58980937, compound

Sources & evidence

ORD record: ord-8db408f48b1743b7af8486817b96d339
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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