HRID1575420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID15919832

8-Aminooctan-1-ol

C8H19NO

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)O)c4)cc23)c1

HCID57763288

3-[[3-(Aminocarbonyl)-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolinyl]sulfonyl]benzoic acid

C25H21N3O6S

PRODUCTS

生成物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)NCCCCCCCCO)c4)cc23)c1

HCID66988028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7763349f11b44d5fbab3d1374486ed5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:34]([NH2:35])(=[O:36])[c:37]1[cH:38][n:39][c:40]2[c:41]([CH3:68])[cH:42][c:43]([S:56](=[O:57])(=[O:58])[c:59]3[cH:60][c:61]([C:62](=[O:63])[OH:64])[cH:65][cH:66][cH:67]3)[cH:44][c:45]2[c:46]1[NH:47][c:48]1[cH:49][c:50]([O:54][CH3:55])[cH:51][cH:52][cH:53]1.[CH3:107][OH:108].[CH3:97][CH2:98][N:99]([CH2:100][CH3:101])[CH2:102][CH3:103].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:104][CH2:105][Cl:106].[NH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][OH:78].[O:92]=[CH:93][N:94]([CH3:95])[CH3:96].[OH:79][C:80]([CH2:81][C:82]([C:83](=[O:84])[OH:85])([CH2:86][C:87](=[O:88])[OH:89])[OH:90])=[O:91].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:34]([NH2:35])(=[O:36])[c:37]1[cH:38][n:39][c:40]2[c:41]([CH3:68])[cH:42][c:43]([S:56](=[O:57])(=[O:58])[c:59]3[cH:60][c:61]([C:62](=[O:64])[NH:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][OH:78])[cH:65][cH:66][cH:67]3)[cH:44][c:45]2[c:46]1[NH:47][c:48]1[cH:49][c:50]([O:54][CH3:55])[cH:51][cH:52][cH:53]1