Bromide ion → 7-[2-(5-Amino-[1,2,4]thiadiazol-3-yl)-2-trityloxyimino-acetylamino]-3-formyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

HRID 1551565Notes

Reaction equation

HRID 1551565 reaction equation
[Br-:73].[CH3:1][C:2]1([CH3:11])[N:3]([O:4])[C:5]([CH3:6])([CH3:7])[CH2:8][CH2:9][CH2:10]1.[CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][C:29](=[O:30])[C:31]1=[C:38]([CH2:39][OH:40])[CH2:37][S:36][CH:35]2[N:32]1[C:33](=[O:72])[CH:34]2[NH:41][C:42]([C:43](=[N:44][O:45][C:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[c:65]1[n:66][s:67][c:68]([NH2:70])[n:69]1)=[O:71].[Cl:12][O-:13].[Cl:80][CH2:81][Cl:82].[K+:74].[Na+:14].[Na+:79].[O-:75][C:76]([OH:77])=[O:78].[OH2:83]>>[CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][C:29](=[O:30])[C:31]1=[C:38]([CH:39]=[O:40])[CH2:37][S:36][CH:35]2[N:32]1[C:33](=[O:72])[CH:34]2[NH:41][C:42]([C:43](=[N:44][O:45][C:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[c:65]1[n:66][s:67][c:68]([NH2:70])[n:69]1)=[O:71]

Participants

10

Reactant 9

HCID 259Bromide ionHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 61739HypochloriteHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 764716187-[2-(5-Amino-[1,2,4]thiadiazol-3-yl)-2-trityloxyimino-acetylamino]-3-hydroxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

Product 1

HCID 731640087-[2-(5-Amino-[1,2,4]thiadiazol-3-yl)-2-trityloxyimino-acetylamino]-3-formyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

Sources & evidence

ORD record
ord-ca37e70a0f7c448cb39f834ab01c44f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…