Toluene → HCID 76834669, compound

HRID 1116582Notes

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 7509Benzyl mercaptan

HCID 4622928Cyanomethylenetributylphosphorane

HCID 76834733Methyl 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-3-methyl-2-oxopiperidin-3-yl]acetate

Product 1

HCID 76834669HCID 76834669, compound

Sources & evidence

ORD record: ord-face6c12496a41318724d3571749df54
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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