1-Butanol → Barium

HRID 2156267Notes

Reaction equation

HRID 2156267 reaction equation
[Ba+2:46].[CH2:48]([OH:49])[CH2:50][CH2:51][CH3:52].[O:53]=[C:54]=[O:55].[OH-:45].[OH-:47].[OH2:56].[P:1](=[O:2])([O:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)([O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][CH2:18][CH:19]([CH3:20])[CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH:26]1[CH2:27][CH2:28][CH:29]2[CH:30]3[CH2:31][CH2:32][CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37][C:38]4([CH3:39])[CH:40]3[CH2:41][CH2:42][C:43]12[CH3:44]>>[Ba:46].[P:1](=[O:2])([O:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)([O-:10])[O:17][CH2:18][CH:19]([CH3:20])[CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH:26]1[CH2:27][CH2:28][CH:29]2[CH:30]3[CH2:31][CH2:32][CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37][C:38]4([CH3:39])[CH:40]3[CH2:41][CH2:42][C:43]12[CH3:44]

Participants

8

Reactant 6

HCID 2631-ButanolHCID 280Carbon DioxideHCID 961Hydroxide2×HCID 962WaterHCID 104810Barium ionHCID 178442507HCID 178442507, compound

Product 2

HCID 5355457BariumHCID 178442508HCID 178442508, compound

Sources & evidence

ORD record
ord-c49db217af554768b0e28304da961d58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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