Ethanol → HCID 53986966, compound

HRID 1214187Notes

Reaction equation

HRID 1214187 reaction equation
[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[CH3:47][CH2:48][OH:49].[CH:50]([Cl:51])([Cl:52])[Cl:53].[N+:17](=[O:18])([O-:19])[c:20]1[c:21]([CH:22]=[O:23])[cH:24][c:25]([O:28][CH2:29][CH2:30][CH2:31][CH2:32][S:33](=[O:34])(=[O:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:26][cH:27]1.[Na:1].[O:2]=[C:3]1[NH:4][CH:5]([P:9]([O:10][CH2:11][CH3:12])(=[O:13])[O:14][CH2:15][CH3:16])[C:6](=[O:8])[NH:7]1>>[O:2]=[C:3]1[NH:4][C:5](=[CH:22][c:21]2[c:20]([N+:17](=[O:18])[O-:19])[cH:27][cH:26][c:25]([O:28][CH2:29][CH2:30][CH2:31][CH2:32][S:33](=[O:34])(=[O:35])[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:24]2)[C:6](=[O:8])[NH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 3283Diethyl EtherHCID 6212ChloroformHCID 3516088Diethyl 5-hydantoylphosphonateHCID 5360545SodiumHCID 15005593HCID 15005593, compound

Product 1

HCID 53986966HCID 53986966, compound

Sources & evidence

ORD record
ord-6293b1c4ed2e4366b789ae336b325576
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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