Tetrahydrofuran → 3-[4-[[6-[3-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]benzoyl]-2-oxo-1H-indol-3-ylidene]methylamino]phenyl]propanoic acid

HRID 201686

Reaction equation

HRID 201686 reaction equation
[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[NH2:36][c:37]1[cH:38][cH:39][c:40]([CH2:43][CH2:44][C:45](=[O:46])[OH:47])[cH:41][cH:42]1.[OH:1][CH:2]=[C:3]1[C:4](=[O:30])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[cH:24][n:25][n:26]([CH3:29])[c:27]4[Cl:28])[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21>>[CH:2](=[C:3]1[C:4](=[O:30])[NH:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[c:14]3[cH:15][c:16]([NH:20][C:21](=[O:22])[c:23]4[cH:24][n:25][n:26]([CH3:29])[c:27]4[Cl:28])[cH:17][cH:18][cH:19]3)[cH:9][cH:10][c:11]21)[NH:36][c:37]1[cH:38][cH:39][c:40]([CH2:43][CH2:44][C:45](=[O:46])[OH:47])[cH:41][cH:42]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 754513-(4-Aminophenyl)propionic acidHCID 178481853HCID 178481853, compound

Product 1

HCID 1784818513-[4-[[6-[3-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]benzoyl]-2-oxo-1H-indol-3-ylidene]methylamino]phenyl]propanoic acid

Sources & evidence

ORD record
ord-183ff27f87e541ad8546496128b8a789
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

Loading…