HRID86940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24648

Sulfuryl chloride

Cl2O2S

结构：CC(C)(C)OC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O

HCID3645897

2-TERT-BUTOXYCARBONYLAMINO-3-NAPHTHALEN-2-YL-PROPIONIC ACID

C18H21NO4

结构：CC(C)CN(C(CO)CCCCN)S(=O)(=O)c1ccc(F)c(N)c1

HCID18008997

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C(CO)CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(N)c1

HCID67533018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c841c3e8f9a47b495730ea21dc08a3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[NH:37][CH:38]([C:39](=[O:40])[OH:41])[CH2:42][c:43]1[cH:44][c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[cH:51][cH:52]1.[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([CH2:7][OH:8])[N:9]([S:10](=[O:11])(=[O:12])[c:13]1[cH:14][c:15]([NH2:20])[c:16]([F:19])[cH:17][cH:18]1)[CH2:21][CH:22]([CH3:23])[CH3:24].[S:25]([Cl:26])([Cl:27])(=[O:28])=[O:29]>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([CH2:7][OH:8])[N:9]([S:10](=[O:11])(=[O:12])[c:13]1[cH:14][c:15]([NH2:20])[c:16]([F:19])[cH:17][cH:18]1)[CH2:21][CH:22]([CH3:23])[CH3:24])[C:39]([CH:38]([NH:37][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH2:42][c:43]1[cH:44][c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[cH:51][cH:52]1)=[O:40]