HRID1201092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6329

Methylamine

CH5N

HCID7095

Biphenyl

C12H10

HCID69364

Propanoyl chloride, 3-chloro-

C3H4Cl2O

HCID235086

1-(biphenyl-4-yl)-3-chloropropan-1-one

C15H13ClO

HCID70595719

未命名化合物

HCID70596859

未命名化合物

结构：Cc1ccc(S(=O)(=O)OCCC(C)(O)c2ccccc2-c2ccccc2)cc1

HCID86735980

未命名化合物

PRODUCTS

生成物

HCID70595686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20f1064ef77f4311a4f9199cbc335a45
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

[Br:54][CH2:55][CH2:56][C:57]([c:58]1[cH:59][cH:60][cH:61][cH:62][c:63]1-[c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)([OH:70])[CH3:71].[CH3:100][NH2:101].[CH3:102][OH:103].[Cl:1][CH2:2][CH2:3][C:4]([CH3:5])([OH:6])[c:7]1[c:8](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10][cH:11][cH:12]1.[Cl:31][CH2:32][CH2:33][C:34]([Cl:35])=[O:36].[Cl:37][CH2:38][CH2:39][C:40]([c:41]1[cH:42][cH:43][c:44](-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52]1)=[O:53].[c:72]1([CH3:73])[cH:74][cH:75][c:76]([S:77]([O:78][CH2:79][CH2:80][C:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][c:87]2-[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([OH:94])[CH3:95])(=[O:96])=[O:97])[cH:98][cH:99]1.[cH:19]1[cH:20][cH:21][c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30]1>>[CH2:2]([CH2:3][C:4]([CH3:5])([OH:6])[c:7]1[c:8](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10][cH:11][cH:12]1)[NH:101][CH3:100]