Ethanol → HCID 178431299, compound

HRID 1134711Notes

Reaction equation

HRID 1134711 reaction equation
[Br:1][CH:2]1[CH2:3][CH:4]([CH3:5])[CH2:6][O:7][C:8]12[CH:9]([CH3:10])[CH:11]1[C:12]3([CH3:13])[CH:14]([CH2:15][CH:16]1[O:17]2)[CH:18]1[CH:19]([C:20]2([CH3:21])[CH:22]([CH2:23][CH2:24]1)[CH2:25][CH:26]([OH:27])[CH2:28][CH2:29]2)[CH:30]([OH:31])[CH:32]3[OH:33].[Br:34][CH:35]1[C:36]2([O:37][CH:38]3[CH:39]([CH:40]2[CH3:41])[C:42]2([CH3:67])[CH:43]([O:60][C:61](=[O:62])[C:63]([Cl:64])([Cl:65])[Cl:66])[CH:44]([OH:59])[CH:45]4[C:46]5([CH3:58])[CH2:47][CH2:48][CH:49]([OH:57])[CH2:50][CH:51]5[CH2:52][CH2:53][CH:54]4[CH:55]2[CH2:56]3)[O:68][CH2:69][CH:70]([CH3:72])[CH2:71]1.[CH3:76][CH2:77][OH:78].[Na+:74].[OH-:73].[OH2:75]>>[Br:34][CH:35]1[C:36]2([O:37][CH:38]3[CH:39]([CH:40]2[CH3:41])[C:42]2([CH3:67])[CH:43]4[CH:44]([CH:45]5[C:46]6([CH3:58])[CH2:47][CH2:48][CH:49]([OH:57])[CH2:50][CH:51]6[CH2:52][CH2:53][CH:54]5[CH:55]2[CH2:56]3)[O:60]4)[O:68][CH2:69][CH:70]([CH3:72])[CH2:71]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178431301HCID 178431301, compoundHCID 178431302HCID 178431302, compound

Product 1

HCID 178431299HCID 178431299, compound

Sources & evidence

ORD record
ord-400084f20d2b4144b1c9a0e0faf3e598
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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