Diethyl cyanophosphonate → HCID 58980905, compound

HRID 2151498Notes

Reaction equation

HRID 2151498 reaction equation
[C:44]([P:45](=[O:46])([O:47][CH2:48][CH3:49])[O:50][CH2:51][CH3:52])#[N:53].[CH3:37][S:38](=[O:39])(=[O:40])[CH2:41][CH2:42][NH2:43].[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:43][CH2:42][CH2:41][S:38]([CH3:37])(=[O:39])=[O:40])[cH:24][n:25]3[CH3:26])[cH:6][nH:7][c:8]2[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 76257Diethyl cyanophosphonateHCID 43405612-(Methylsulfonyl)ethanamineHCID 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 58980905HCID 58980905, compound

Sources & evidence

ORD record
ord-cb29f6ace88645c7aae6e73d9fb1911b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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