HRID1131857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

HCID33786383

1-(5-Bromo-2-methoxyphenyl)methanamine

C8H10BrNO

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)O)c1

HCID57813277

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(Br)ccc2OC)c1

HCID57813267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c794b7c1c5024cc1925e89b9d67a82bb
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

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