HRID2339893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

反应SMILES：Cc1ccc(S(=O)(=O)N2CCCC(=O)c3ccccc32)cc1

HCID266852

1-(4-Methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

C17H17NO3S

HCID521099

3,5-Bis(trifluoromethyl)benzylamine

C9H7F6N

HCID3260420

未命名化合物

4 次

PRODUCTS

产物

反应SMILES：Cc1ccc(S(=O)(=O)N2CCCC(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc32)cc1

HCID86616086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ac570ac9ef3045ddacd427621efb93d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[BH4-:39].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH3:52][OH:53].[CH3:54][CH:55]([CH3:56])[O-:57].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:63][CH:64]([CH3:65])[O-:66].[CH3:67][CH:68]([CH3:69])[O-:70].[F:23][C:24]([c:25]1[cH:26][c:27]([CH2:28][NH2:29])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[Na+:40].[Na+:42].[OH-:41].[Ti+4:58].[c:1]1([CH3:22])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]2)[cH:5][cH:6]1>>[c:1]1([CH3:22])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[N:10]2[c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[CH:13]([NH:29][CH2:28][c:27]3[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]3)[CH2:14][CH2:15][CH2:16]2)[cH:5][cH:6]1