Bromide ion → HCID 59577231, compound

HRID 1137963Notes

Reaction equation

HRID 1137963 reaction equation
[Br-:43].[C:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[c:30]([SH:35])[cH:31][cH:32][cH:33][cH:34]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:20][S:21](=[O:22])(=[O:23])[Cl:24].[CH3:44][CH2:45][CH2:46][CH2:47][N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Na+:37].[OH-:36].[OH:1][CH:2]1[CH2:3][N:4]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:5]1>>[CH:2]1([S:35][c:30]2[c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:34][cH:33][cH:32][cH:31]2)[CH2:3][N:4]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:5]1

Participants

12

Reactant 11

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 31297Methanesulfonyl chlorideHCID 2756801Tert-butyl 3-hydroxyazetidine-1-carboxylateHCID 27950322-tert-butylbenzenethiol

Product 1

HCID 59577231HCID 59577231, compound

Sources & evidence

ORD record
ord-681e51f6608446b1927c95fc9a3dd1c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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