HRID682717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID700

Ethanolamine

C2H7NO

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

HCID204386

(+/-)-2-(Diphenylhydroxymethyl)pyrrolidine

C17H19NO

结构：CSc1c(F)cc(F)cc1-c1ccc2cc(OS(C)(=O)=O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

HCID57552531

未命名化合物

PRODUCTS

生成物

HCID86626530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82ef633c966c4cd2b174117d77db0151
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH3:68].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[Cl-:66].[F:20][c:21]1[c:22]([S:60][CH3:61])[c:23](-[c:28]2[c:29]([C:43]([c:44]3[cH:45][cH:46][c:47]([O:50][CH2:51][CH2:52][N:53]4[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]4)[cH:48][cH:49]3)=[O:59])[c:30]3[cH:31][cH:32][c:33]([O:38][S:39](=[O:40])(=[O:41])[CH3:42])[cH:34][c:35]3[cH:36][cH:37]2)[cH:24][c:25]([F:27])[cH:26]1.[NH2:62][CH2:63][CH2:64][OH:65].[NH4+:67].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([CH:9]2[CH2:10][CH2:11][CH2:12][NH:13]2)[OH:14])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[F:20][c:21]1[c:22]([S:60][CH3:61])[c:23](-[c:28]2[c:29]([CH:43]([c:44]3[cH:45][cH:46][c:47]([O:50][CH2:51][CH2:52][N:53]4[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]4)[cH:48][cH:49]3)[OH:59])[c:30]3[cH:31][cH:32][c:33]([O:38][S:39](=[O:40])(=[O:41])[CH3:42])[cH:34][c:35]3[cH:36][cH:37]2)[cH:24][c:25]([F:27])[cH:26]1