HRID817909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID114942

Titanium(4+)

Ti+4

HCID498716

未命名化合物

HCID521099

3,5-Bis(trifluoromethyl)benzylamine

C9H7F6N

HCID3260420

未命名化合物

4 次

结构：CC(C)OC(=O)N1CCCC(=O)c2cc(Br)c(Cl)cc21

HCID68677298

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCCC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(Br)c(Cl)cc21

HCID86616069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a37d4cad40c410ca2e579fa9d20f4ed
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:37]([BH3-:38])#[N:39].[CH3:41][OH:42].[CH3:43][CH:44]([CH3:45])[O-:46].[CH3:48][CH:49]([CH3:50])[O-:51].[CH3:52][CH:53]([CH3:54])[O-:55].[CH3:56][CH:57]([CH3:58])[O-:59].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[c:8]2[c:9]([cH:15][c:16]([Br:20])[c:17]([Cl:19])[cH:18]2)[C:10](=[O:14])[CH2:11][CH2:12][CH2:13]1.[F:21][C:22]([c:23]1[cH:24][c:25]([CH2:26][NH2:27])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36].[Na+:40].[Ti+4:47]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[c:8]2[c:9]([cH:15][c:16]([Br:20])[c:17]([Cl:19])[cH:18]2)[CH:10]([NH:27][CH2:26][c:25]2[cH:24][c:23]([C:22]([F:21])([F:35])[F:36])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28]2)[CH2:11][CH2:12][CH2:13]1