Hydrochloric Acid → 4-(6-Cyclobutanecarbonylaminomethylpyridin-2-yl)-2-(diaminomethyleneamino)thiazole

HRID 152615Notes

Reaction equation

HRID 152615 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[C:68]([O:69][CH2:70][CH3:71])(=[O:72])[CH3:73].[CH3:20][N:21]([CH3:22])[CH2:23][CH2:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH3:30].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[CH:1]1([C:5](=[O:6])[OH:7])[CH2:2][CH2:3][CH2:4]1.[ClH:19].[ClH:31].[ClH:32].[ClH:33].[K+:55].[K+:56].[NH2:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][c:40](-[c:42]2[n:43][c:44]([N:47]=[C:48]([NH2:49])[NH2:50])[s:45][cH:46]2)[n:41]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:62].[OH2:8].[OH:9][n:10]1[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[n:17][n:18]1>>[CH:1]1([C:5](=[O:7])[NH:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][c:40](-[c:42]3[n:43][c:44]([N:47]=[C:48]([NH2:49])[NH2:50])[s:45][cH:46]3)[n:41]2)[CH2:2][CH2:3][CH2:4]1

Participants

13

Reactant 12

HCID 313Hydrochloric Acid4×HCID 813Potassium Cation2×HCID 962Water2×HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 19494Cyclobutanecarboxylic acidHCID 19660Carbonate IonHCID 757711-HydroxybenzotriazoleHCID 103997684-(6-Aminomethylpyridin-2-yl)-2-(diaminomethyleneamino)thiazole

Product 1

HCID 100422774-(6-Cyclobutanecarbonylaminomethylpyridin-2-yl)-2-(diaminomethyleneamino)thiazole

Sources & evidence

ORD record
ord-27309b7222484e7b9e34b3bb4fadd51c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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