Chloride → HCID 59331394, compound

HRID 1216814Notes

Reaction equation

HRID 1216814 reaction equation
[CH2:51]([n+:52]1[c:53]([CH3:54])[c:55]([CH2:56][CH2:57][OH:58])[s:59][cH:60]1)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:67][CH2:68][OH:69].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH:15]=[CH2:16])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[CH:25](=[O:26])[c:27]1[n:28][cH:29][n:30]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:31]1.[Cl-:50].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH2:15][CH2:16][C:25](=[O:26])[c:27]3[n:28][cH:29][n:30]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:31]3)=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 702EthanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 23139317HCID 23139317, compoundHCID 593312584-[4-(cyclopropylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

Product 1

HCID 59331394HCID 59331394, compound

Sources & evidence

ORD record
ord-f33a060cb8ed4470a601b81d89d6e8d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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