Acetic Acid → HCID 10119565, compound

HRID 319251Notes

Reaction equation

HRID 319251 reaction equation
[BrH:54].[C:55]([OH:56])(=[O:57])[CH3:58].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[c:11]([CH2:19][N:20]([CH:21]3[CH2:22][CH2:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][n:29][c:30]43)[CH2:31][c:32]3[cH:33][cH:34][c:35]([CH2:36][NH:37][S:38](=[O:39])(=[O:40])[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:47][cH:48]3)[n:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[c:11]([CH2:19][N:20]([CH:21]2[CH2:22][CH2:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][n:29][c:30]32)[CH2:31][c:32]2[cH:33][cH:34][c:35]([CH2:36][NH:37][S:38](=[O:39])(=[O:40])[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48]2)[n:12][c:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 3283Diethyl EtherHCID 10305305HCID 10305305, compound

Product 1

HCID 10119565HCID 10119565, compound

Sources & evidence

ORD record
ord-c0f6279420534a62904d8f72088b8c93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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