HRID164094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2774744

3-bromo-2,6-dimethoxybenzoic acid

C9H9BrO4

结构：CC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C

HCID2837084

未命名化合物

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：COc1ccc(Br)c(OC)c1C(=O)Nc1ccc2c(c1)C(C)(c1ccccc1)CC(C)(C)N2C(C)=O

HCID17962896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06b0edee5afe439688519dc39ef52069
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

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