Water → HCID 178427362, compound

HRID 2318252

Reaction equation

HRID 2318252 reaction equation
[CH:27]([CH3:28])([CH3:29])[O:30][C:31]([CH:32]([NH2:33])[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[O:41].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[OH2:1].[c:2]1([CH3:19])[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH2:17][CH2:18]2)[cH:6][cH:7]1>>[c:2]1([CH3:19])[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH:12]([C:13](=[O:15])[NH:33][CH:32]([C:31]([O:30][CH:27]([CH3:28])[CH3:29])=[O:41])[CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:16][CH2:17][CH2:18]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 407875DL-Isopropyl phenylalaninateHCID 5634611-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid

Product 1

HCID 178427362HCID 178427362, compound

Sources & evidence

ORD record
ord-97596632b70648ca9cb941238b7971ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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