Chloride → Methyl 3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-[2-methyl-1-oxo-1-(2-trimethylsilylethoxy)propan-2-yl]oxyiminoacetyl]amino]-4-oxoazetidine-2-carboxylate

HRID 1574731Notes

Reaction equation

HRID 1574731 reaction equation
[C:46](=[O:47])([O-:48])[OH:49].[CH2:51]([Cl:52])[Cl:53].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl-:35].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[s:7][cH:8][c:9]([C:11]([C:12](=[O:13])[OH:14])=[N:15][O:16][C:17]([CH3:18])([C:19](=[O:20])[O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[CH3:28])[n:10]1.[Cl:29][P:30]([Cl:31])([Cl:32])([Cl:33])[Cl:34].[NH2:36][CH:37]1[C:38](=[O:45])[NH:39][CH:40]1[C:41](=[O:42])[O:43][CH3:44].[Na+:50].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:59]>>[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[s:7][cH:8][c:9]([C:11]([C:12](=[O:13])[NH:36][CH:37]2[C:38](=[O:45])[NH:39][CH:40]2[C:41](=[O:42])[O:43][CH3:44])=[N:15][O:16][C:17]([CH3:18])([C:19](=[O:20])[O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[CH3:28])[n:10]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 24819Phosphorus pentachlorideHCID 14230519Methyl 3-amino-4-oxoazetidine-2-carboxylateHCID 536965212-(2-Chloroacetamido-4-thiazolyl)-2-[1-methyl-1-(2-trimethylsilylethoxycarbonyl)ethoxyimino]acetic acid

Product 1

HCID 54334648Methyl 3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-[2-methyl-1-oxo-1-(2-trimethylsilylethoxy)propan-2-yl]oxyiminoacetyl]amino]-4-oxoazetidine-2-carboxylate

Sources & evidence

ORD record
ord-a8709571a9df48c78f0ec78adad4f081
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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