HRID2339517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID57989275

未命名化合物

结构：CC(C)(C)OC(=O)N(Cc1ccc(OCCOS(C)(=O)=O)cc1)CC(O)c1ccc(O)c2[nH]c(=O)sc12

HCID76698050

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)N2CCOC3(CCN(CCOc4ccc(CN(CC(O)c5ccc(O)c6[nH]c(=O)sc56)C(=O)OC(C)(C)C)cc4)CC3)C2)s1

HCID76698030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d075f560271045dd90f3641e3494ee89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][S:2]([O:3][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][N:16]([CH2:17][CH:18]([c:19]2[cH:20][cH:21][c:22]([OH:29])[c:23]3[nH:24][c:25](=[O:28])[s:26][c:27]23)[OH:30])[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:13][cH:14]1)(=[O:4])=[O:5].[CH3:45][c:46]1[cH:47][cH:48][c:49]([C:51](=[O:52])[N:53]2[CH2:54][CH2:55][O:56][C:57]3([CH2:58]2)[CH2:59][CH2:60][NH:61][CH2:62][CH2:63]3)[s:50]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:71][C:72]#[N:73].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[CH2:6]([CH2:7][O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][N:16]([CH2:17][CH:18]([c:19]2[cH:20][cH:21][c:22]([OH:29])[c:23]3[nH:24][c:25](=[O:28])[s:26][c:27]23)[OH:30])[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:13][cH:14]1)[N:61]1[CH2:60][CH2:59][C:57]2([O:56][CH2:55][CH2:54][N:53]([C:51]([c:49]3[cH:48][cH:47][c:46]([CH3:45])[s:50]3)=[O:52])[CH2:58]2)[CH2:63][CH2:62]1