Acetic Acid → HCID 12094117, compound

HRID 111642Notes

Reaction equation

HRID 111642 reaction equation
[BrH:5].[CH2:6]([O:7][P:8](=[O:9])([O:10][CH2:11][CH3:12])[N:14]1[CH2:15][CH2:16][N:17]([S:41](=[O:42])(=[O:43])[c:44]2[c:45]([N+:50](=[O:51])[O-:52])[cH:46][cH:47][cH:48][cH:49]2)[CH2:18][CH2:19][CH2:20][CH:21]([F:40])[CH2:22][CH2:23][CH2:24][N:25]([S:28](=[O:29])(=[O:30])[c:31]2[c:32]([N+:37](=[O:38])[O-:39])[cH:33][cH:34][cH:35][cH:36]2)[CH2:26][CH2:27]1)[CH3:13].[CH3:1][C:2](=[O:3])[OH:4].[CH3:53][CH2:54][O:55][CH2:56][CH3:57]>>[NH:14]1[CH2:15][CH2:16][N:17]([S:41](=[O:42])(=[O:43])[c:44]2[c:45]([N+:50](=[O:51])[O-:52])[cH:46][cH:47][cH:48][cH:49]2)[CH2:18][CH2:19][CH2:20][CH:21]([F:40])[CH2:22][CH2:23][CH2:24][N:25]([S:28](=[O:29])(=[O:30])[c:31]2[c:32]([N+:37](=[O:38])[O-:39])[cH:33][cH:34][cH:35][cH:36]2)[CH2:26][CH2:27]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 3283Diethyl EtherHCID 46180616HCID 46180616, compound

Product 1

HCID 12094117HCID 12094117, compound

Sources & evidence

ORD record
ord-31fd0ec6f54f4573aedf14224de6844a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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