Ethylene Glycol → HCID 178473235, compound

HRID 89854Notes

Reaction equation

HRID 89854 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[C:7]([CH2:40][CH3:41])([NH2:42])[CH2:8][CH:9]([c:18]2[n:19][cH:20][c:21]([I:39])[c:22]([CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[n:23]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21.[CH:57]([OH:58])([CH3:59])[CH3:60].[Cu:61]([I:62])[I:63].[K+:55].[K+:56].[OH2:64].[OH:47][CH2:48][CH2:49][OH:50].[SH:43][CH2:44][CH2:45][OH:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[C:7]([CH2:40][CH3:41])([NH2:42])[CH2:8][CH:9]([c:18]2[n:19][cH:20][c:21]([S:43][CH2:44][CH2:45][OH:46])[c:22]([CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[n:23]2)[c:10]2[n:11][c:12]([O:16][CH3:17])[cH:13][cH:14][c:15]21

Participants

9

Reactant 8

HCID 174Ethylene GlycolHCID 813Potassium Cation2×HCID 962WaterHCID 15672-MercaptoethanolHCID 3776IsopropanolHCID 19660Carbonate IonHCID 83717Copper iodideHCID 142684731HCID 142684731, compound

Product 1

HCID 178473235HCID 178473235, compound

Sources & evidence

ORD record
ord-aa84f5dba39143b183de310055e477d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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