Acetic Acid → HCID 178522049, compound

HRID 695172Notes

Reaction equation

[CH3:1][C:2]1([CH3:52])[O:3][CH2:4][c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]([CH2:13][NH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][CH2:22][CH2:23][O:24][CH2:25][c:26]3[cH:27][c:28]([NH:32][C:33](=[O:34])[NH:35][c:36]4[cH:37][c:38]([NH:42][C:43](=[O:44])[c:45]5[cH:46][n:47][cH:48][cH:49][cH:50]5)[cH:39][cH:40][cH:41]4)[cH:29][cH:30][cH:31]3)[OH:51])[cH:11]2)[O:7]1.[CH3:53][C:54](=[O:55])[OH:56].[OH2:57]>>[OH:3][CH2:4][c:5]1[c:6]([OH:7])[cH:8][cH:9][c:10]([CH:12]([CH2:13][NH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][CH2:22][CH2:23][O:24][CH2:25][c:26]2[cH:27][c:28]([NH:32][C:33](=[O:34])[NH:35][c:36]3[cH:37][c:38]([NH:42][C:43](=[O:44])[c:45]4[cH:46][n:47][cH:48][cH:49][cH:50]4)[cH:39][cH:40][cH:41]3)[cH:29][cH:30][cH:31]2)[OH:51])[cH:11]1

Participants

Reactant 3

HCID 176Acetic Acid

HCID 962Water

HCID 69177857N-[3-[[3-[2-[6-[[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-hydroxyethyl]amino]hexoxy]ethoxymethyl]phenyl]carbamoylamino]phenyl]pyridine-3-carboxamide

Product 1

HCID 178522049HCID 178522049, compound

Sources & evidence

ORD record: ord-f4f34372c1f14680bba7f9645c5fd043
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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