Hydrochloric Acid → HCID 67346507, compound

HRID 1559046Notes

Reaction equation

HRID 1559046 reaction equation
[CH2:47]([N:48]=[C:49]=[N:50][CH2:51][CH2:52][CH2:53][N:54]([CH3:55])[CH3:56])[CH3:57].[CH2:68]([N:69]([CH:70]([CH3:71])[CH3:72])[CH:73]([CH3:74])[CH3:75])[CH3:76].[ClH:46].[F:29][c:30]1[cH:31][cH:32][c:33](-[n:36]2[n:37][cH:38][cH:39][c:40]([C:43](=[O:44])[OH:45])[c:41]2=[O:42])[cH:34][cH:35]1.[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH:7]=[C:8]([c:11]1[cH:12][c:13]3[n:14][cH:15][cH:16][c:17]([O:20][c:21]4[c:22]([F:28])[cH:23][c:24]([NH2:25])[cH:26][cH:27]4)[c:18]3[s:19]1)[CH2:9][CH2:10]2.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[n:58]1([OH:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[O:1]1[CH2:2][CH2:3][O:4][C:5]12[CH2:6][CH:7]=[C:8]([c:11]1[cH:12][c:13]3[n:14][cH:15][cH:16][c:17]([O:20][c:21]4[c:22]([F:28])[cH:23][c:24]([NH:25][C:43]([c:40]5[cH:39][cH:38][n:37][n:36](-[c:33]6[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]6)[c:41]5=[O:42])=[O:44])[cH:26][cH:27]4)[c:18]3[s:19]1)[CH2:9][CH2:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 667671712-(4-Fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxylic acidHCID 673482014-(2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluoroaniline

Product 1

HCID 67346507HCID 67346507, compound

Sources & evidence

ORD record
ord-9e92851c3dae4db5ad0eb7c36be719b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…