HRID159722

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-

HCID2735649

2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C15H19NO4

HCID4641409

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

C10H15N6O+

结构：Cc1cccc(C(=O)Nc2cc3c4c(c(-c5ccccc5)[nH]c4c2)C=NNC3=O)c1C

HCID135774186

未命名化合物

结构：CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)Nc1cc2c3c(c[nH]c3c1)C=NNC2=O

HCID136181646

未命名化合物

PRODUCTS

生成物

结构：O=C1NN=Cc2c[nH]c3cc(NC(=O)C4Cc5ccccc5CN4)cc1c23

HCID178518910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5dd4d0123434c25a48eac1163d3d59b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[CH2:16][CH:17]1[C:18]([NH:19][c:20]1[cH:21][c:22]2[c:23]3[c:24]([cH:25][nH:26][c:27]3[cH:28]1)[cH:29][n:30][nH:31][c:32]2=[O:33])=[O:34])([CH3:5])([CH3:6])[CH3:7].[C:66]([O:67][C:68]([N:69]1[CH:70]([C:71]([OH:72])=[O:73])[CH2:74][c:75]2[c:76]([cH:77][cH:78][cH:79][cH:80]2)[CH2:81]1)=[O:82])([CH3:83])([CH3:84])[CH3:85].[CH3:117][N:118]([CH3:119])[CH:120]=[O:121].[CH3:35][c:36]1[c:37]([CH3:38])[cH:39][cH:40][cH:41][c:42]1[C:43]([NH:44][c:45]1[cH:46][c:47]2[c:48](=[O:49])[nH:50][n:51][cH:52][c:53]3[c:54](-[c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[nH:61][c:62]([cH:63]1)[c:64]23)=[O:65].[CH3:86][CH2:87][N:88]([CH2:89][CH3:90])[CH2:91][CH3:92].[P-:93]([F:94])([F:95])([F:96])([F:97])([F:98])[F:99].[n:100]1([O:101][C:102]([N:103]([CH3:104])[CH3:105])=[N+:106]([CH3:107])[CH3:108])[c:109]2[n:110][cH:111][cH:112][cH:113][c:114]2[n:115][n:116]1>>[NH:8]1[CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[CH2:16][CH:17]1[C:18]([NH:19][c:20]1[cH:21][c:22]2[c:23]3[c:24]([cH:25][nH:26][c:27]3[cH:28]1)[cH:29][n:30][nH:31][c:32]2=[O:33])=[O:34]