HRID304522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID639145

methyl 3-formylbenzoate

C9H8O3

HCID2724942

未命名化合物

结构：Cc1cc2c(cc1C(F)(F)F)NCCCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1

HCID72297395

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(CN2CCCC(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)c3cc(C)c(C(F)(F)F)cc32)c1

HCID73008418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b30796315461407f87936b951d823a96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[CH2:73]([Cl:74])[Cl:75].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH:10]=[O:11])[cH:7][cH:8][cH:9]1)=[O:12].[CH3:65][C:66](=[O:67])[OH:68].[Cl:69][CH2:70][CH2:71][Cl:72].[F:13][C:14]([c:15]1[cH:16][c:17]([CH2:18][N:19]([CH:20]2[c:21]3[c:22]([cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[c:29]([CH3:31])[cH:30]3)[NH:23][CH2:24][CH2:25][CH2:26]2)[c:36]2[n:37][n:38][n:39]([CH3:41])[n:40]2)[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[Na+:64]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][N:23]2[c:22]3[c:21]([cH:30][c:29]([CH3:31])[c:28]([C:32]([F:33])([F:34])[F:35])[cH:27]3)[CH:20]([N:19]([CH2:18][c:17]3[cH:16][c:15]([C:14]([F:13])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]3)[c:36]3[n:37][n:38][n:39]([CH3:41])[n:40]3)[CH2:26][CH2:25][CH2:24]2)[cH:7][cH:8][cH:9]1)=[O:12]