Water → Phosphoric Acid

HRID 2137628Notes

Reaction equation

HRID 2137628 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:44][CH3:45])[c:10]([CH2:19][NH:20][C:21]([c:22]1[cH:23][cH:24][c:25]([NH:28][C:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH2:39][CH2:40][OH:41])=[O:42])[cH:26][cH:27]1)=[O:43])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH:51]([OH:52])([CH3:53])[CH3:54].[OH2:55].[P:46]([OH:47])([OH:48])([OH:49])=[O:50]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:44][CH3:45])[c:10]([CH2:19][NH:20][C:21]([c:22]1[cH:23][cH:24][c:25]([NH:28][C:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH2:39][CH2:40][OH:41])=[O:42])[cH:26][cH:27]1)=[O:43])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[P:46](=[O:47])([OH:48])([OH:49])[OH:50]

Participants

6

Reactant 4

HCID 962WaterHCID 1004Phosphoric AcidHCID 3776IsopropanolHCID 23729488HCID 23729488, compound

Product 2

HCID 1004Phosphoric AcidHCID 23729488HCID 23729488, compound

Sources & evidence

ORD record
ord-8e699f56135b47f9a048a72ce7bbbb75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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