HRID2339455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID9796

2,6-Difluorobenzoic acid

C7H4F2O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCNCC3)nc2)cc1

HCID68537984

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nc2)cc1

HCID68538071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf02428193b45fe96d52f22e2bcb634
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][n:23][c:24]([N:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[CH3:71][C:72]#[N:73].[Cl:68][CH2:69][Cl:70].[F:33][c:34]1[c:35]([C:36](=[O:37])[OH:38])[c:39]([F:43])[cH:40][cH:41][cH:42]1.[OH2:74].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][n:23][c:24]([N:27]3[CH2:28][CH2:29][N:30]([C:36]([c:35]4[c:34]([F:33])[cH:42][cH:41][cH:40][c:39]4[F:43])=[O:37])[CH2:31][CH2:32]3)[cH:25][cH:26]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1