HRID1131037

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：O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2cc(F)cc(F)c2F)ccc2cc(O)ccc12

HCID11237470

未命名化合物

PRODUCTS

生成物

结构：Oc1ccc2c(C(O)c3ccc(OCCN4CCCCC4)cc3)c(-c3cc(F)cc(F)c3F)ccc2c1

HCID67004819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c56a25fba4f7421b9c72857071891d4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH3:57].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[Cl-:62].[NH2:58][CH2:59][CH2:60][OH:61].[NH4+:63].[OH:20][c:21]1[cH:22][c:23]2[cH:24][cH:25][c:26](-[c:48]3[c:49]([F:56])[c:50]([F:55])[cH:51][c:52]([F:54])[cH:53]3)[c:27]([C:31](=[O:32])[c:33]3[cH:34][cH:35][c:36]([O:39][CH2:40][CH2:41][N:42]4[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]4)[cH:37][cH:38]3)[c:28]2[cH:29][cH:30]1.[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>>[OH:20][c:21]1[cH:22][c:23]2[cH:24][cH:25][c:26](-[c:48]3[c:49]([F:56])[c:50]([F:55])[cH:51][c:52]([F:54])[cH:53]3)[c:27]([CH:31]([OH:32])[c:33]3[cH:34][cH:35][c:36]([O:39][CH2:40][CH2:41][N:42]4[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]4)[cH:37][cH:38]3)[c:28]2[cH:29][cH:30]1