Hydrochloric Acid → p-Nitrobenzyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)acetate

HRID 1117359Notes

Reaction equation

HRID 1117359 reaction equation
[CH2:52]([Cl:53])[Cl:54].[CH3:50][OH:51].[CH:1]1([CH2:4][O:5][C:6](=[O:7])[S:8][CH:9]2[CH:10]([NH:37][C:38]([CH2:39][O:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)=[O:47])[C:11](=[O:36])[N:12]2[C:13]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)=[C:27]([CH2:28][Br:29])[N:30]2[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[CH2:2][CH2:3]1.[ClH:48].[OH2:49]>>[CH:1]1([CH2:4][O:5][C:6](=[O:7])[S:8][CH:9]2[CH:10]([NH:37][C:38]([CH2:39][O:40][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)=[O:47])[C:11](=[O:36])[N:12]2[C:13]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)=[C:27]([CH2:28][Br:29])[OH:49])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 53903289HCID 53903289, compound

Product 1

HCID 86735549p-Nitrobenzyl alpha-[4-cyclopropylmethoxycarbonylthio-3-phenoxyacetamido-2-oxoazetidin-1-yl]-alpha-(2-bromo-1-hydroxyethylidene)acetate

Sources & evidence

ORD record
ord-a86355cefa814922b0b6b5d1daa84ac9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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