HRID1231175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID57989156

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：CC(C)c1ncc(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

HCID67291881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5297ac602d05427d832ff856bc394691
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][C:67]#[N:68].[CH:38]([CH3:39])([CH3:40])[c:41]1[s:42][c:43]([C:46](=[O:47])[N:48]2[CH2:49][CH2:50][O:51][C:52]3([CH2:53]2)[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]3)[cH:44][n:45]1>>[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:56]1[CH2:55][CH2:54][C:52]2([O:51][CH2:50][CH2:49][N:48]([C:46]([c:43]3[s:42][c:41]([CH:38]([CH3:39])[CH3:40])[n:45][cH:44]3)=[O:47])[CH2:53]2)[CH2:58][CH2:57]1