Acetate → HCID 178432685, compound

HRID 2142163Notes

Reaction equation

HRID 2142163 reaction equation
[CH3:37][c:38]1[c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44][cH:45][n:46]1.[CH3:48][C:49](=[O:50])[O-:51].[Cl:8][c:9]1[cH:10][c:11]2[c:12]3[cH:13][cH:14][n:15][cH:16][c:17]3[nH:18][c:19]2[c:20]([NH:22][C:23](=[O:24])[CH:25]2[CH2:26][O:27][C:28]([CH3:35])([CH3:36])[CH2:29][N:30]2[CH2:31][CH:32]([CH3:33])[NH2:34])[cH:21]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH4+:47]>>[Cl:8][c:9]1[cH:10][c:11]2[c:12]3[cH:13][cH:14][n:15][cH:16][c:17]3[nH:18][c:19]2[c:20]([NH:22][C:23](=[O:24])[CH:25]2[CH2:26][O:27][C:28]([CH3:35])([CH3:36])[CH2:29][N:30]2[CH2:31][CH:32]([CH3:33])[NH:34][C:40]([c:39]2[c:38]([CH3:37])[n:46][cH:45][cH:44][cH:43]2)=[O:41])[cH:21]1

Participants

6

Reactant 5

HCID 175AcetateHCID 223AmmoniumHCID 6422Trifluoroacetic acidHCID 6433732-Methylnicotinic acidHCID 671656684-(2-Amino-propyl)-6,6-dimethyl-morpholine-3-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide

Product 1

HCID 178432685HCID 178432685, compound

Sources & evidence

ORD record
ord-a58def43a11d4ef8bd1948a38a149b28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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