Potassium Cation → 2-morpholin-4-ylethyl 2-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate

HRID 290508Notes

Reaction equation

HRID 290508 reaction equation
[CH2:45]([P:46]([OH:47])(=[O:48])[OH:49])[CH2:50][CH3:51].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[K+:80].[O:36]1[CH2:37][CH2:38][N:39]([CH2:42][CH2:43][OH:44])[CH2:40][CH2:41]1.[OH2:74].[S:75](=[O:76])(=[O:77])([OH:78])[O-:79].[nH:1]1[n:2][cH:3][c:4]2[c:5]([CH2:10][C:11](=[O:12])[NH:13][c:14]3[s:15][c:16]([C:20](=[O:21])[NH:22][CH:23]([C:24](=[O:25])[OH:26])[CH2:27][NH:28][C:29](=[O:30])[c:31]4[s:32][cH:33][cH:34][cH:35]4)[c:17]([CH3:19])[n:18]3)[cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][cH:3][c:4]2[c:5]([CH2:10][C:11](=[O:12])[NH:13][c:14]3[s:15][c:16]([C:20](=[O:21])[NH:22][CH:23]([C:24]([O:25][CH2:43][CH2:42][N:39]4[CH2:38][CH2:37][O:36][CH2:41][CH2:40]4)=[O:26])[CH2:27][NH:28][C:29](=[O:30])[c:31]4[s:32][cH:33][cH:34][cH:35]4)[c:17]([CH3:19])[n:18]3)[cH:6][cH:7][cH:8][c:9]12

Participants

9

Reactant 8

HCID 813Potassium CationHCID 962WaterHCID 8028Tetrahydrofuran2×HCID 8857Ethyl Acetate2×HCID 611632-MorpholinoethanolHCID 61778Sulfate, hydrogenHCID 204484Propylphosphonic acidHCID 756023362-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

Product 1

HCID 888980882-morpholin-4-ylethyl 2-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate

Sources & evidence

ORD record
ord-13a14cb57f394a659514a091762fc5f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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