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结构：CC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C(=O)O)cn3)ccc2n1CC1CCOCC1
HCID57937295

1-[[2-(1,1-Dimethylethyl)-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-benzimidazol-5-yl]sulfonyl]-1H-pyrazole-4-carboxylic acid

C21H26N4O5S446.529 g/molCAS 952674-77-0
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IDENTITY

结构与身份

标准 SMILES
CC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C(=O)O)cn3)ccc2n1CC1CCOCC1
InChIKey
VYUREJYLFDAOGM-UHFFFAOYSA-N
分子式
C21H26N4O5S
平均分子量
446.529 g/mol
单同位素质量
446.16239093
扩展信息尚未完成同步。

REACTIONS

参与反应

16 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID95782

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 95782 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID124967

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 124967 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID167841

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为生成物
HRID 167841 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID210265

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 210265 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID215428

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 215428 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID937995

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 937995 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1222853

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物
HRID 1222853 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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