Chloride → Chloride

HRID 281880Notes

Reaction equation

HRID 281880 reaction equation
[Br:16][c:17]1[c:18]([OH:45])[c:19]([CH2:25][P+:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:20][c:21]([O:23][CH3:24])[cH:22]1.[CH3:58][C:59]#[N:60].[Cl-:15].[Cl:1][C:2](=[O:3])[CH:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:8][CH2:9]1.[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[C:2](=[O:3])([CH:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:8][CH2:9]1)[O:45][c:18]1[c:17]([Br:16])[cH:22][c:21]([O:23][CH3:24])[cH:20][c:19]1[CH2:25][P+:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl-:1]

Participants

9

Reactant 7

HCID 312ChlorideHCID 923Sodium ion2×HCID 1049PyridineHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 10929347(3-Bromo-2-hydroxy-5-methoxyphenyl)methyl-triphenylphosphaniumHCID 11096122Ethyl 4-(chlorocarbonyl)-1-piperidinecarboxylate

Product 2

HCID 312ChlorideHCID 21470006[3-Bromo-2-(1-ethoxycarbonylpiperidine-4-carbonyl)oxy-5-methoxyphenyl]methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-7636fab6dcfe4a0c928fb543253271bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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