Chloride → HCID 68433906, compound

HRID 2343309Notes

Reaction equation

HRID 2343309 reaction equation
[CH2:47]([n+:48]1[c:49]([CH3:50])[c:51]([CH2:52][CH2:53][OH:54])[s:55][cH:56]1)[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:25][C:26]1([CH3:38])[O:27][CH2:28][CH:29]([c:31]2[n:32][c:33]([CH:36]=[O:37])[s:34][cH:35]2)[O:30]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:63][CH2:64][OH:65].[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.[Cl-:46]>>[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:36]([c:33]3[n:32][c:31]([CH:29]4[CH2:28][O:27][C:26]([CH3:25])([CH3:38])[O:30]4)[cH:35][s:34]3)=[O:37])=[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

7

Reactant 6

HCID 312ChlorideHCID 702EthanolHCID 8471TriethylamineHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 59331237HCID 59331237, compoundHCID 593312584-[4-(cyclopropylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

Product 1

HCID 68433906HCID 68433906, compound

Sources & evidence

ORD record
ord-a3d2f2539ccb49d19cee547d5dc42c46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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