Acetic Acid → HCID 53656931, compound

HRID 1124380Notes

Reaction equation

HRID 1124380 reaction equation
[Br:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH2:65]([O:66][CH2:67][CH3:68])[CH3:69].[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[CH3:74][C:75](=[O:76])[OH:77].[CH:70]([Cl:71])([Cl:72])[Cl:73].[H-:1].[I-:41].[Na+:2].[Na:31].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH:32][C:33](=[O:34])[O-:35].[OH:3][CH2:4][CH2:5][O:6][CH2:7][n:8]1[c:9](=[S:10])[nH:11][c:12](=[O:13])[c:14]([CH3:15])[c:16]1-[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[O:3]([CH2:4][CH2:5][O:6][CH2:7][n:8]1[c:9](=[S:10])[nH:11][c:12](=[O:13])[c:14]([CH3:15])[c:16]1-[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1

Participants

14

Reactant 13

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6212ChloroformHCID 7498Benzyl BromideHCID 8028TetrahydrofuranHCID 8058HexaneHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 166653HydrideHCID 5360545SodiumHCID 23168033HCID 23168033, compound

Product 1

HCID 53656931HCID 53656931, compound

Sources & evidence

ORD record
ord-d90e295896fc4aec8bdd67cfff03df0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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