Staurosporine → Biphenyl

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CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4.O=C1CCN(c2ccc(F)c(F)c2)CC1>CC(=O)N(C)C.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Na+].[Ti+4]>CO[C@@H]1[C@H](N(C)C2CCN(c3ccc(F)c(F)c3)CC2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4

참가 물질

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온도: 22 °C

후처리

additionThe next morning, the Mosquito(R) was used to dilute the 100 mM reactions to 50 mM via addition of 1 uL DMSO to each reaction well, followed by dispense mixing.
additionThe reactions were diluted with 3x1 uL DMSO (containing PhPh as an internal standard) using the Mosquito(R). The reactions were mixed after each dispense operation.
aliquotMosquito(R) was used to transfer 1 uL of each quenched reaction from the 1,536-well reaction plate to 384-well analytical plates containing 60 uL DMSO for analysis by UPLC.
additionMosquito(R) was used to transfer 1 uL of each quenched reaction from the 1,536-well reaction plate to 384-well analytical plates containing 60 uL DMSO for analysis by UPLC.

출처 및 근거

ORD 기록: ord-4a8aab421207465b954a99ee4c55ba6e
출처 데이터셋: Cernak miniaturized reductive amination
DOI: 10.1038/s44160-023-00351-1
원본 링크: 출처 보기

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참가 물질

반응물 2

HCID 44259Staurosporine

HCID 246938011-(3,4-Difluorophenyl)piperidin-4-one

생성물 4

HCID 7095Biphenyl

HCID 44259Staurosporine

HCID 10727303HCID 10727303, 화합물

HCID 178496665HCID 178496665, 화합물

시약·촉매·용매 4

HCID 176Acetic Acid시약

HCID 11026Titanium isopropoxide시약

HCID 5049666Sodium triacetoxyborohydride시약

HCID 31374Dimethylacetamide용매7회

반응 조건

온도: 22 °C

후처리

additionThe next morning, the Mosquito(R) was used to dilute the 100 mM reactions to 50 mM via addition of 1 uL DMSO to each reaction well, followed by dispense mixing.
additionThe reactions were diluted with 3x1 uL DMSO (containing PhPh as an internal standard) using the Mosquito(R). The reactions were mixed after each dispense operation.
aliquotMosquito(R) was used to transfer 1 uL of each quenched reaction from the 1,536-well reaction plate to 384-well analytical plates containing 60 uL DMSO for analysis by UPLC.
additionMosquito(R) was used to transfer 1 uL of each quenched reaction from the 1,536-well reaction plate to 384-well analytical plates containing 60 uL DMSO for analysis by UPLC.

출처 및 근거

ORD 기록: ord-4a8aab421207465b954a99ee4c55ba6e
출처 데이터셋: Cernak miniaturized reductive amination
DOI: 10.1038/s44160-023-00351-1
원본 링크: 출처 보기

반응 노트

불러오는 중…