Ethanol → Phosphoric Acid

HRID 2134955Notes

Reaction equation

HRID 2134955 reaction equation
[CH3:1][O:2][c:3]1[c:4](-[c:11]2[cH:12][c:13]([C:35](=[O:36])[NH:37][C:38]3([C:48](=[O:49])[OH:50])[CH:39]4[CH2:40][CH:41]5[CH2:42][CH:43]([CH2:44][CH:45]3[CH2:46]5)[CH2:47]4)[n:14][n:15]2-[c:16]2[c:17]([CH:32]([CH3:33])[CH3:34])[cH:18][c:19]([C:22]([N:23]([CH2:24][CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[CH3:30])=[O:31])[cH:20][cH:21]2)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:59][CH2:60][OH:61].[Cl:56][CH2:57][Cl:58].[P:51]([OH:52])([OH:53])([OH:54])=[O:55]>>[CH3:1][O:2][c:3]1[c:4](-[c:11]2[cH:12][c:13]([C:35](=[O:36])[NH:37][C:38]3([C:48](=[O:49])[OH:50])[CH:39]4[CH2:40][CH:41]5[CH2:42][CH:43]([CH2:44][CH:45]3[CH2:46]5)[CH2:47]4)[n:14][n:15]2-[c:16]2[c:17]([CH:32]([CH3:33])[CH3:34])[cH:18][c:19]([C:22]([N:23]([CH2:24][CH2:25][CH2:26][N:27]([CH3:28])[CH3:29])[CH3:30])=[O:31])[cH:20][cH:21]2)[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[P:51](=[O:52])([OH:53])([OH:54])[OH:55]

Participants

6

Reactant 4

HCID 702EthanolHCID 1004Phosphoric AcidHCID 6344DichloromethaneHCID 5311451SR142948A

Product 2

HCID 1004Phosphoric AcidHCID 5311451SR142948A

Sources & evidence

ORD record
ord-4ef046bf6f644ccfbd5159d0c522a4de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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