HRID1112809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7914

Isopropyl ether

C6H14O

HCID136247

3,5-Bis(trifluoromethyl)benzaldehyde

C9H4F6O

HCID2724942

未命名化合物

结构：CCOC(=O)N1c2ccc(C(F)(F)F)cc2C(N)CC1CC

HCID9944755

未命名化合物

PRODUCTS

生成物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：CCOC(=O)N1c2ccc(C(F)(F)F)cc2C(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1CC

HCID10122942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-824c20c2cad7481093580270e990b665
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:21][CH3:22])[CH2:8][CH:9]([NH2:20])[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH:71]([O:72][CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:67][CH2:68][CH2:69][Cl:70].[F:23][C:24]([c:25]1[cH:26][c:27]([CH:28]=[O:29])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[Na+:52].[Na+:54].[OH-:53].[OH2:55].[c:56]1([CH3:66])[cH:57][cH:58][c:59]([S:62](=[O:63])(=[O:64])[OH:65])[cH:60][cH:61]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:21][CH3:22])[CH2:8][CH:9]([NH:20][CH2:28][c:27]2[cH:26][c:25]([C:24]([F:23])([F:37])[F:38])[cH:32][c:31]([C:33]([F:34])([F:35])[F:36])[cH:30]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[c:56]1([CH3:66])[cH:57][cH:58][c:59]([S:62](=[O:63])(=[O:64])[OH:65])[cH:60][cH:61]1