HRID2341161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID12947397

1-(1-Bromoethyl)-3,5-bis(trifluoromethyl)benzene

C10H7BrF6

结构：CCN(CC1CCCC1)c1ccc(C(F)(F)F)cc1CNc1ncc(OCCSC)cn1

HCID68491507

未命名化合物

PRODUCTS

生成物

结构：CCN(CC1CCCC1)c1ccc(C(F)(F)F)cc1CN(c1ncc(OCCSC)cn1)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID25056258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4a208b6f24b4bb3b870fee6ab0f298d
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

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