Ethylene Glycol → HCID 178421240, compound

HRID 321071Notes

Reaction equation

HRID 321071 reaction equation
[ClH:40].[K+:39].[OH-:38].[OH2:41].[OH:42][CH2:43][CH2:44][OH:45].[c:1]1([CH:7]([NH:8][C:9](=[O:10])[CH:11]2[C:12]3([CH3:13])[CH:14]([CH2:15][CH2:16]2)[CH:17]2[CH2:18][CH:19]=[C:20]4[CH:21]=[C:22]([C:30]#[N:31])[CH2:23][CH2:24][C:25]4([CH3:26])[CH:27]2[CH2:28][CH2:29]3)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([NH:8][C:9](=[O:10])[CH:11]2[C:12]3([CH3:13])[CH:14]([CH2:15][CH2:16]2)[CH:17]2[CH2:18][CH:19]=[C:20]4[CH:21]=[C:22]([C:30](=[O:38])[OH:41])[CH2:23][CH2:24][C:25]4([CH3:26])[CH:27]2[CH2:28][CH2:29]3)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 174Ethylene GlycolHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 178421217HCID 178421217, compound

Product 1

HCID 178421240HCID 178421240, compound

Sources & evidence

ORD record
ord-5d2f4a89ea3b477aad311cb9204ce1e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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