HRID193528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID79030

(+/-)-Leucinol

C6H15NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID67296837

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(CO)NC(=O)C1NC(CC(C)(C)C)C(C#N)(c2ccc(Cl)cc2)C1c1cccc(Cl)c1

HCID75095780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-661ae338e9db40929e6f183c4f6a64c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH:9]([C:27](=[O:28])[OH:29])[NH:10][CH:11]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:12]2([C:13]#[N:14])[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:71][CH2:72][Cl:73].[NH2:30][CH:31]([CH2:32][OH:33])[CH2:34][CH:35]([CH3:36])[CH3:37].[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>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH:9]([C:27](=[O:29])[NH:30][CH:31]([CH2:32][OH:33])[CH2:34][CH:35]([CH3:36])[CH3:37])[NH:10][CH:11]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:12]2([C:13]#[N:14])[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1