Hydrochloric Acid → HCID 75215769, compound

HRID 1204573Notes

Reaction equation

HRID 1204573 reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[Cl:30][c:31]1[c:32]([NH2:41])[n:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1.[ClH:53].[F:1][CH:2]([O:3][c:4]1[c:5]([O:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[s:15][cH:16][cH:17][n:18]3[c:19]2[C:20](=[O:21])[OH:22])[cH:7][cH:8][cH:9]1)[F:29].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72]>>[F:1][CH:2]([O:3][c:4]1[c:5]([O:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[s:15][cH:16][cH:17][n:18]3[c:19]2[C:20](=[O:21])[NH:41][c:32]2[c:31]([Cl:30])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34][n:33]2)[cH:7][cH:8][cH:9]1)[F:29]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 6072483-Chloro-5-(trifluoromethyl)-2-pyridinamineHCID 684073476-[2-[3-(Difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

Product 1

HCID 75215769HCID 75215769, compound

Sources & evidence

ORD record
ord-731a0d6577cd4683931646150c21e74b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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