Water → [3-[[4-[5,5-Dimethyl-4-(prop-2-enylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl]-2-methylphenyl] acetate

HRID 1569483Notes

Reaction equation

HRID 1569483 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH3:27])[c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([C:13](=[O:14])[OH:15])[OH:16])[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26]1.[CH2:28]([CH:29]=[CH2:30])[NH:31][C:32](=[O:33])[CH:34]1[NH:35][CH2:36][S:37][C:38]1([CH3:39])[CH3:40].[CH3:61][CH:62]1[CH2:63][CH2:64][CH2:65][O:66]1.[CH:52]([N:53]=[C:54]=[N:55][CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[OH2:51].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH3:27])[c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([C:13](=[O:14])[N:35]2[CH:34]([C:32]([NH:31][CH2:28][CH:29]=[CH2:30])=[O:33])[C:38]([CH3:39])([CH3:40])[S:37][CH2:36]2)[OH:16])[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26]1

Participants

7

Reactant 6

HCID 962WaterHCID 73012-MethyltetrahydrofuranHCID 12734DiisopropylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 219823343-[(3-Acetyloxy-2-methylbenzoyl)amino]-2-hydroxy-4-phenylbutanoic acidHCID 587885185,5-dimethyl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide

Product 1

HCID 10482766[3-[[4-[5,5-Dimethyl-4-(prop-2-enylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl]-2-methylphenyl] acetate

Sources & evidence

ORD record
ord-c63d9639ed4044f987d6ecd56a56f500
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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