HRID1142386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID136429

Diphenylmethane-4-carboxylic acid

C14H12O2

HCID4641409

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

C10H15N6O+

HCID86642525

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)Cc1nc(NC(=O)c2ccc(Cc3ccccc3)cc2)sc1C(=O)NCc1ccccc1

HCID59369701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1400ddb08844472b307747b178963cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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