HRID170388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID12121

m-Tolylacetic acid

C9H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID66823723

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(CC(=O)N2CCc3cc(-c4cccc5c4c(N)nn5C)ccc32)c1

HCID53466729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7aedfb1ea7864369a3622f318cfc8663
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

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