Ethylene Glycol → HCID 15136430, compound

HRID 284267Notes

Reaction equation

HRID 284267 reaction equation
[Br:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH2:18]([O:19][C:20](=[O:21])[NH:22][n:23]1[cH:24][cH:25][cH:26][cH:27]1)[CH3:28].[CH2:43]([O:44][C:45](=[O:46])[N:47]([n:48]1[cH:49][cH:50][cH:51][cH:52]1)[CH2:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH3:60].[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[Cl:12][C:13]([O:14][CH2:15][CH3:16])=[O:17].[Cl:63][CH2:64][Cl:65].[K+:34].[Na+:11].[Na+:62].[O-:7][C:8]([OH:9])=[O:10].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[OH-:61].[OH2:75].[OH:71][CH2:72][CH2:73][OH:74].[n:1]1([NH2:2])[cH:3][cH:4][cH:5][cH:6]1>>[NH:47]([n:48]1[cH:49][cH:50][cH:51][cH:52]1)[CH2:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1

Participants

15

Reactant 14

HCID 174Ethylene GlycolHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 7498Benzyl BromideHCID 8028TetrahydrofuranHCID 10928Ethyl chloroformateHCID 1365891-AminopyrroleHCID 45749132-Methylpropan-2-olateHCID 14601944HCID 14601944, compoundHCID 15136429HCID 15136429, compound

Product 1

HCID 15136430HCID 15136430, compound

Sources & evidence

ORD record
ord-6edc541340534e12b2431d44c9f58087
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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