Dimethylformamide → 3-[(Acetyloxy)methyl]-7-[[3-ethoxy-1,3-dioxo-2-(2,3-dihydro-5-benzofuranyl)propyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-(acetyloxy)benzyl ester

HRID 214228

Reaction equation

HRID 214228 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]1=[C:7]([C:33](=[O:34])[OH:35])[N:8]2[C:9](=[O:32])[CH:10]([NH:14][C:15]([CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]3[cH:23][cH:24][c:25]4[c:26]([cH:30]3)[CH2:27][CH2:28][O:29]4)=[O:31])[CH:11]2[S:12][CH2:13]1.[C:37]([CH3:38])(=[O:39])[O:40][c:41]1[cH:42][cH:43][c:44]([CH2:45][OH:46])[cH:47][cH:48]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:49]1([N:50]=[C:51]=[N:52][CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Na:36]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]1=[C:7]([C:33]([O:34][CH2:45][c:44]2[cH:43][cH:42][c:41]([O:40][C:37]([CH3:38])=[O:39])[cH:48][cH:47]2)=[O:35])[N:8]2[C:9](=[O:32])[CH:10]([NH:14][C:15]([CH:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]3[cH:23][cH:24][c:25]4[c:26]([cH:30]3)[CH2:27][CH2:28][O:29]4)=[O:31])[CH:11]2[S:12][CH2:13]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 10868DicyclohexylcarbodiimideHCID 959064-Acetoxybenzyl alcoholHCID 5360545SodiumHCID 233358303-[(Acetyloxy)methyl]-7-[[3-ethoxy-1,3-dioxo-2-(2,3-dihydro-5-benzofuranyl)-propyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Product 1

HCID 537929593-[(Acetyloxy)methyl]-7-[[3-ethoxy-1,3-dioxo-2-(2,3-dihydro-5-benzofuranyl)propyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-(acetyloxy)benzyl ester

Sources & evidence

ORD record
ord-834121f26cfb44e3971ceaabd3f15076
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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