Substructure Search

11375

NCCCCCCN
Reaction #8662
hexamethylenediamine
Yield 98.2%DOI: 10.6084/m9.figshare.5104873.v1
NCCCCCCN
Reaction #8663
hexamethylenediamine
Yield 98.1%DOI: 10.6084/m9.figshare.5104873.v1
C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.O.O.[Ca+2]
Reaction #44944
Mupirocin calcium dihydrate
Yield 131.3%DOI: 10.6084/m9.figshare.5104873.v1
C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.O.O.[Ca+2]
Reaction #44947
Mupirocin calcium dihydrate
Yield 51.7%DOI: 10.6084/m9.figshare.5104873.v1
C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.O.O.[Ca+2]
Reaction #44952
Mupirocin calcium dihydrate
Yield 62.0%DOI: 10.6084/m9.figshare.5104873.v1
C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.[Ca+2]
Reaction #44956
product
Yield 87.7%DOI: 10.6084/m9.figshare.5104873.v1
NCCCCCCN
Reaction #51591
hexamethylenediamine
Yield 98.2%DOI: 10.6084/m9.figshare.5104873.v1
NCCCCCCN
Reaction #51592
hexamethylenediamine
Yield 98.1%DOI: 10.6084/m9.figshare.5104873.v1
O=C(NCCO)C1CNCCN1
Reaction #63592
N-(2-hydroxyethyl)-2-piperazinecarboxamide
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
O=C([O-])O.O=C([O-])O.[Ca+2]
Reaction #77175
calcium bicarbonate
DOI: 10.6084/m9.figshare.5104873.v1
O=C([O-])CC(O)C(=O)OO.O=C([O-])CC(O)C(=O)OO.O=C([O-])CC(O)C(=O)OO.O=C([O-])CC(O)C(=O)OO.[Ca+2].[Ca+2]
Reaction #77905
dicalciumhydroxy malate
DOI: 10.6084/m9.figshare.5104873.v1
—
Reaction #77912
dihydroxycalcium ferrous malate
DOI: 10.6084/m9.figshare.5104873.v1
O=C(O)CC(O)C(=O)O
Reaction #77915
malic acid
DOI: 10.6084/m9.figshare.5104873.v1
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
Reaction #90848
Tricaprin
DOI: 10.6084/m9.figshare.5104873.v1
Nc1cncnc1NCc1ccccn1
Reaction #343818
N4 -(2-pyridinylmethyl)-4,5-pyrimidinediamine
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
Fc1ccc(Cn2c(CC3CCNCC3)nc3ncncc32)cc1
Reaction #343840
7-[(4-fluorophenyl)methyl]-8-(4-piperidinylmethyl)-7H-purine
Yield 54.0%DOI: 10.6084/m9.figshare.5104873.v1
CCCCCCC(C)=C(C)C#N
Reaction #350346
2,3-Dimethyl-2-Nonene Nitrile
DOI: 10.6084/m9.figshare.5104873.v1
C[C@H](NP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-].C[C@H](NP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-].[Ca+2]
Reaction #367973
dibenzylphosphoryl-L-alanyl-L-prolyl-L-proline calcium salt
Yield 83.8%DOI: 10.6084/m9.figshare.5104873.v1
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)CI
Reaction #413672
title compound
DOI: 10.6084/m9.figshare.5104873.v1
C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)CI
Reaction #413673
title compound
DOI: 10.6084/m9.figshare.5104873.v1
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