Chloride → HCID 178503107, compound

HRID 321084Notes

Reaction equation

HRID 321084 reaction equation
[CH2:1]1[O:2][C:3]2([CH2:4][C:5]3=[CH:6][CH2:7][CH:8]4[CH:9]5[CH2:10][CH2:11][C:12](=[O:35])[C:13]5([CH3:14])[CH2:15][CH:16]([c:21]5[cH:22][cH:23][c:24]([O:27][S:28]([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34])[cH:25][cH:26]5)[CH:17]4[CH:18]3[CH2:19][CH2:20]2)[O:36][CH2:37]1.[CH3:46][S:47][c:48]1[cH:49][cH:50][c:51]([B:54]([OH:55])[OH:56])[cH:52][cH:53]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:66][CH2:67][OH:68].[Cl-:39].[Cl-:58].[Li+:38].[Na+:40].[Na+:41].[Na+:57].[O-:42][C:43](=[O:44])[O-:45]>>[CH2:1]1[O:2][C:3]2([CH2:4][C:5]3=[CH:6][CH2:7][CH:8]4[CH:9]5[CH2:10][CH2:11][C:12](=[O:35])[C:13]5([CH3:14])[CH2:15][CH:16]([c:21]5[cH:22][cH:23][c:24](-[c:51]6[cH:50][cH:49][c:48]([S:47][CH3:46])[cH:53][cH:52]6)[cH:25][cH:26]5)[CH:17]4[CH:18]3[CH2:19][CH2:20]2)[O:36][CH2:37]1

Participants

9

Reactant 8

HCID 312Chloride2×HCID 702EthanolHCID 923Sodium ion3×HCID 1140TolueneHCID 19660Carbonate IonHCID 28486Lithium ionHCID 27339594-(Methylthio)phenylboronic acidHCID 178421173HCID 178421173, compound

Product 1

HCID 178503107HCID 178503107, compound

Sources & evidence

ORD record
ord-d7b723f5a11946169744b0f36b7ccf94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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