HRID670967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID2773959

4-(trifluoromethoxy)benzene-1,2-diamine

C7H7F3N2O

HCID4641409

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

C10H15N6O+

结构：CN(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCC(=O)O)C1

HCID77352971

未命名化合物

PRODUCTS

生成物

结构：CN(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCC(=O)Nc2ccc(OC(F)(F)F)cc2N)C1

HCID178483119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fd8ce8bec4f4ae08be33892d42a5ebd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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