Water → HCID 178477025, compound

HRID 2344605Notes

Reaction equation

HRID 2344605 reaction equation
[CH3:25][N:26]([C:27](=[O:28])[Cl:29])[CH3:30].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C:10](=[O:11])[N:12]2[CH:13]([CH2:21][OH:22])[CH2:14][CH:15]([S:17][C:18]([CH3:19])=[O:20])[CH2:16]2)[cH:23][cH:24]1.[OH2:37].[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C:10](=[O:11])[N:12]2[CH:13]([CH2:21][O:22][C:27]([N:26]([CH3:25])[CH3:30])=[O:28])[CH2:14][CH:15]([S:17][C:18]([CH3:19])=[O:20])[CH2:16]2)[cH:23][cH:24]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 6598Dimethylcarbamoyl ChlorideHCID 19770261(2S,4S)-4-(Acetylthio)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester

Product 1

HCID 178477025HCID 178477025, compound

Sources & evidence

ORD record
ord-63929089424d40228bb65bf42fe29276
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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