HRID1224011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID66970

Ethanamine, 2-ethoxy-

C4H11NO

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)O

HCID22936749

4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxylic acid

C21H18ClN3O5

PRODUCTS

生成物

结构：CCOCCNC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)ccnc2cc1OC

HCID22936710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ea862903e4b49448c6bbfb17fda6709
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

[CH2:31]([CH3:32])[O:33][CH2:34][CH2:35][NH2:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][n:9][c:10]3[cH:11][c:12]([O:19][CH3:20])[c:13]([C:16](=[O:17])[OH:18])[cH:14][c:15]23)[cH:21][cH:22][c:23]1[NH:24][C:25](=[O:26])[NH:27][CH:28]1[CH2:29][CH2:30]1.[OH2:76].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][P+:53]([N:54]([CH3:55])[CH3:56])([N:57]([CH3:58])[CH3:59])[N:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][n:9][c:10]3[cH:11][c:12]([O:19][CH3:20])[c:13]([C:16](=[O:18])[NH:36][CH2:35][CH2:34][O:33][CH2:31][CH3:32])[cH:14][c:15]23)[cH:21][cH:22][c:23]1[NH:24][C:25](=[O:26])[NH:27][CH:28]1[CH2:29][CH2:30]1