HRID157770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

HCID521099

3,5-Bis(trifluoromethyl)benzylamine

C9H7F6N

HCID3260420

未命名化合物

4 次

结构：CC(C)(C)OC(=O)N1CCCC(=O)c2ccc(Cl)cc21

HCID68678967

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)cc21

HCID86616082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7579bab80974d6fb179f4adb17ef6cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH4-:37].[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[N:24]1[c:25]2[c:26]([cH:32][cH:33][c:34]([Cl:36])[cH:35]2)[C:27](=[O:31])[CH2:28][CH2:29][CH2:30]1.[CH3:39][OH:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH:49]([CH3:50])[O-:51].[CH3:53][CH:54]([CH3:55])[O-:56].[CH3:57][CH:58]([CH3:59])[O-:60].[CH3:61][CH:62]([CH3:63])[O-:64].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH2:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16].[Na+:38].[OH2:41].[Ti+4:52]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH:27]2[c:26]3[c:25]([cH:35][c:34]([Cl:36])[cH:33][cH:32]3)[N:24]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH2:30][CH2:29][CH2:28]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:15])[F:16]