HRID99002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6372

Chlorodifluoromethane

CHClF2

HCID8071

未命名化合物

HCID16028

Tetrabutylammonium

C16H36N+

结构：COc1cc(CCNC(=O)C(=CO)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1

HCID69901147

N-[2-(4-benzyloxy-3-methoxyphenyl)ethyl]-3-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acrylamide

C29H31NO4

PRODUCTS

生成物

结构：COc1cc(CCNC(=O)C(=COC(F)F)c2ccc3c(c2)CCCC3)ccc1OCc1ccccc1

HCID69900815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1444d68cd8f44539956db0a9d99d3b42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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