HRID687684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID12088

4-Carboxybenzaldehyde

C8H6O3

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

HCID53319786

未命名化合物

PRODUCTS

生成物

结构：O=Cc1ccc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1

HCID59340335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25e4fabb3c3f4e5ca202754b1d1e61b8
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

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