HRID107890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6395

Methanesulfonic acid

CH4O3S

HCID3445673

3-Phenoxyphenyl isocyanate

C13H9NO2

HCID59443280

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2Cc3cc(CNC(=O)Nc4cccc(Oc5ccccc5)c4)ccc3C2=O)C(=O)N1

HCID46200913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-021a7272185644a4851feab08cf9174b
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

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