HRID196926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID21081530

1-[(4-Fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10FNO3

结构：Nc1ccc(Oc2ccnc(NC(=O)N3CCC(CN4CCCC4)CC3)c2)cc1

HCID59596970

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2)ccn1)N1CCC(CN2CCCC2)CC1

HCID59596909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fca8b9595a424f328d4d250e6853cae7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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