HRID665404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7902

Dimethylaminoethanol

C4H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)C(=O)O)c2)n1

HCID11669780

未命名化合物

PRODUCTS

生成物

结构：COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)C(=O)OCCN(C)C)c2)n1

HCID57636085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7cc01a7020a4fe7a9fe05f4307897e3
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

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