部分構造検索

O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+]

CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(-c4cn(Cc5ccccc5)nn4)c2)n3C)ccn1

Reaction #41788

4-{2-(3-(1-Benzyl-1H-[1,2,3]triazol-4-yl)-phenyl amino]-1-methyl-1H-benzoimidazol-5-yloxy}-pyridine-2-carboxylic acid methyl amide

DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)nn1)C(=O)OCc1ccccc1

Reaction #46653

desired product

DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)nn1)C(=O)OCc1ccccc1

Reaction #49143

desired product

DOI: 10.6084/m9.figshare.5104873.v1

$C/C(=C\c1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCn3cc(CO)nn3)cc2)c(F)c1)C(=O)N=C(N)N$

Reaction #73973

収率 30.0%DOI: 10.6084/m9.figshare.5104873.v1

CCOC(=O)c1cn(Cc2ccccc2)nn1

Reaction #86836

ethyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate

収率 24.0%DOI: 10.6084/m9.figshare.5104873.v1

COc1ccc2c(c1)C(C)(C)c1[nH]c3c(N)c(C#N)ccc3c1C2=O

Reaction #90133

収率 27.0%DOI: 10.6084/m9.figshare.5104873.v1

C=C1CN(CCOCCOCCO)N=N1.COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

Reaction #90866

Mono-2-(2-(2-(4-(methylene)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethanol-curcumin

収率 26.0%DOI: 10.6084/m9.figshare.5104873.v1

CCOC(=O)Cn1nncc1-c1ccc2c(c1)ncn2-c1cc(NC(C)=O)cc(-c2ccc(F)cc2F)c1

Reaction #92470

Ethyl 2-(5-(1-(5-acetamido-2′,4′-difluoro-[1,1′-biphenyl]-3-yl)-1H-benzo[d]-imidazol-5-yl)-1H-1,2,3-triazol-1-yl)acetate

収率 75.0%DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)C(=O)OCn1cc(-c2cccc(Br)c2)nn1

Reaction #157476

DOI: 10.6084/m9.figshare.5104873.v1

CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](O[C@@H]3[C@H](OC(C)=O)[C@@H](O[C@@H]4[C@H](OC(C)=O)[C@@H](O[C@@H]5[C@@H](OCCCCCCCCCCCCn6cc(-c7ccccc7)nn6)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)O[C@H](COC(C)=O)[C@H]4OC(C)=O)O[C@H](COC(C)=O)[C@H]3OC(C)=O)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Reaction #162014

収率 62.0%DOI: 10.6084/m9.figshare.5104873.v1

CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](O[C@@H]3[C@H](OC(C)=O)[C@@H](O[C@@H]4[C@H](OC(C)=O)[C@@H](O[C@@H]5[C@@H](OCCCCCCCCCCCCn6cc(-c7cccc8ccccc78)nn6)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)O[C@H](COC(C)=O)[C@H]4OC(C)=O)O[C@H](COC(C)=O)[C@H]3OC(C)=O)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Reaction #162015

naphthyltriazole

収率 26.0%DOI: 10.6084/m9.figshare.5104873.v1

CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](O[C@@H]3[C@@H](OCCCn4cc(CO[C@H]5CC[C@@]6(C)C(CC[C@H]7[C@@H]8CC[C@H]([C@H](C)CCCC(C)C)[C@@]8(C)CC[C@@H]76)C5)nn4)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Reaction #162019

収率 81.5%DOI: 10.6084/m9.figshare.5104873.v1

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OCc5cn(CCCO[C@H]6O[C@H](COC(=O)c7ccccc7)[C@@H](OC(=O)c7ccccc7)[C@H](O[C@H]7O[C@H](COC(=O)c8ccccc8)[C@@H](OC(=O)c8ccccc8)[C@H](O[C@H]8O[C@H](COC(=O)c9ccccc9)[C@@H](OC(=O)c9ccccc9)[C@H](OC(=O)c9ccccc9)[C@@H]8OC(=O)c8ccccc8)[C@@H]7OC(=O)c7ccccc7)[C@@H]6OC(=O)c6ccccc6)nn5)CC[C@]4(C)[C@H]3CC[C@]12C

Reaction #162024

収率 72.0%DOI: 10.6084/m9.figshare.5104873.v1

CC(=O)OC[C@H]1O[C@@H](n2cc(CO[C@H]3CC[C@@]4(C)C(CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Reaction #162029

収率 68.0%DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)nn1)C(=O)OCc1ccccc1

Reaction #167546

desired product

DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)C(=O)OCn1cc(COc2ccc(-n3cnnn3)nc2)nn1

Reaction #167823

expected product

DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)OC(=O)N1CCC(n2cc(COc3ccc(S(C)(=O)=O)cc3)nn2)CC1

Reaction #167831

desired product

DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)OC(=O)NC1=NC(C)(c2cccc(N=[N+]=[N-])c2)COC1

Reaction #168699

DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)OC(=O)NC1=NC(CF)(c2cccc(N=[N+]=[N-])c2)COC1

Reaction #168711

DOI: 10.6084/m9.figshare.5104873.v1

CC(C)(C)OC(=O)NC1=NC(c2cc(N=[N+]=[N-])ccc2F)(C(F)F)COC1

Reaction #168728

desired product

DOI: 10.6084/m9.figshare.5104873.v1

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