Bromide ion → HCID 12093195, compound

HRID 301181Notes

Reaction equation

HRID 301181 reaction equation
[Br-:1].[C:2](=[O:3])([O:4][CH2:5][CH3:6])[CH2:7][P+:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:70]1[O:71][CH2:72][CH2:73][O:74][CH2:75]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[K+:32].[OH2:69].[OH:33][c:34]1[cH:35][c:36]([NH:40][S:41](=[O:42])(=[O:43])[c:44]2[cH:45][c:46]3[c:54]([cH:55][cH:56]2)-[c:53]2[c:48]([cH:49][c:50]([S:57](=[O:58])(=[O:59])[NH:60][c:61]4[cH:62][c:63]([OH:67])[cH:64][cH:65][cH:66]4)[cH:51][cH:52]2)[C:47]3=[O:68])[cH:37][cH:38][cH:39]1>>[C:2](=[O:3])([O:4][CH2:5][CH3:6])[CH:7]=[C:47]1[c:46]2[cH:45][c:44]([S:41]([NH:40][c:36]3[cH:35][c:34]([OH:33])[cH:39][cH:38][cH:37]3)(=[O:42])=[O:43])[cH:56][cH:55][c:54]2-[c:53]2[c:48]1[cH:49][c:50]([S:57](=[O:58])(=[O:59])[NH:60][c:61]1[cH:62][c:63]([OH:67])[cH:64][cH:65][cH:66]1)[cH:51][cH:52]2

Participants

8

Reactant 7

HCID 259Bromide ionHCID 813Potassium CationHCID 962WaterHCID 312751,4-DioxaneHCID 73732(Ethoxycarbonylmethyl)triphenylphosphoniumHCID 45749132-Methylpropan-2-olateHCID 10075434HCID 10075434, compound

Product 1

HCID 12093195HCID 12093195, compound

Sources & evidence

ORD record
ord-c8e9d51f0efe4cf5bcfcf6bdc5dea841
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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