Chloride → HCID 178519109, compound

HRID 197849Notes

Reaction equation

HRID 197849 reaction equation
[C:31]([Cl:32])(=[O:33])[C:34]([CH3:35])([CH3:36])[CH3:37].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([C:21](=[O:22])[OH:23])[CH:11]([c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1.[CH2:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH:45]1[NH:46][C:47](=[O:50])[O:48][CH2:49]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl-:52].[Li+:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([C:21](=[O:22])[N:46]2[CH:45]([CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:49][O:48][C:47]2=[O:50])[CH:11]([c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 62493Pivaloyl chlorideHCID 5596684-Benzyl-1,3-oxazolidin-2-oneHCID 16244042(3RS,4SR)-1-Benzyl-4-(3,4-dichloro-phenyl)-pyrrolidine-3-carboxylic acid

Product 1

HCID 178519109HCID 178519109, compound

Sources & evidence

ORD record
ord-cd6c8851efef4df0b33b0737e57ece4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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