Acetic Acid → HCID 178429645, compound

HRID 686147Notes

Reaction equation

HRID 686147 reaction equation
[C:72]([OH:73])(=[O:74])[CH3:75].[CH3:1][c:2]1[cH:3][cH:4][s:5][c:6]1[CH2:7][NH:8][C:9]1=[N:14][C:12](=[O:13])[CH2:11][S:10]1.[CH:15]([O:16][c:19]1[c:20]([C:44]#[N:45])[cH:21][n:22][c:23]2[cH:24][cH:25][c:26]([CH:29]=[C:30]3[C:31](=[O:43])[N:32]=[C:33]([NH:35][CH2:36][c:37]4[s:38][cH:39][cH:40][c:41]4[CH3:42])[S:34]3)[n:27][c:28]12)([CH3:17])[CH3:18].[O:46]=[C:47]1[C:48](=[CH:49][c:50]2[n:51][c:52]3[c:53]([cH:54][cH:55]2)[n:56][cH:57][c:58]([C:59]#[N:60])[cH:61]3)[S:62][C:63]([NH:64][CH2:65][c:66]2[s:67][cH:68][cH:69][cH:70]2)=[N:71]1.[OH2:76]>>[cH:19]1[c:20]([C:44]#[N:45])[cH:21][n:22][c:23]2[cH:24][cH:25][c:26]([CH:29]=[C:30]3[C:31](=[O:43])[N:32]=[C:33]([NH:35][CH2:36][c:37]4[s:38][cH:39][cH:40][c:41]4[CH3:42])[S:34]3)[n:27][c:28]12

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 1784296466-[[2-[(3-methylthiophen-2-yl)methylamino]-4-oxo-1,3-thiazol-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrileHCID 178429647HCID 178429647, compoundHCID 178510297HCID 178510297, compound

Product 1

HCID 178429645HCID 178429645, compound

Sources & evidence

ORD record
ord-4d91d6191b8048519b43b1b9c9458ab9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…