HRID1569492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1485

Benzenemethanamine, 2,4-dichloro-

C7H7Cl2N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID67201188

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(Cl)cc1Cl

HCID25029940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7744d2533a95476aa9a6fc1c862ba2ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH3:2])[N:3]1[CH:4]([C:13](=[O:14])[OH:15])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[C:11]1=[O:12].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:35][c:36]1[c:37]([CH2:43][NH2:44])[cH:38][cH:39][c:40]([Cl:42])[cH:41]1.[OH2:74].[OH:16][n:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[n:24][n:25]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH2:1]([CH3:2])[N:3]1[CH:4]([C:13](=[O:15])[NH:44][CH2:43][c:37]2[c:36]([Cl:35])[cH:41][c:40]([Cl:42])[cH:39][cH:38]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[C:11]1=[O:12]