HRID684619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID28486

Lithium ion

Li+

结构：CCOC(=O)c1nn(-c2ncccc2Cl)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12

HCID67168527

未命名化合物

PRODUCTS

生成物

结构：OCc1nn(-c2ncccc2Cl)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12

HCID58268633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df9038e89a6943028ea3023e2a443ffb
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

[BH4-:36].[CH3:43][CH2:44][OH:45].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6]1)[C:7]1([CH2:8][CH2:9][N:10]([CH2:13][c:14]3[c:15]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[n:16][n:17](-[c:19]4[n:20][cH:21][cH:22][cH:23][c:24]4[Cl:25])[cH:18]3)[CH2:11][CH2:12]1)[O:31][CH2:32][C:33]2([F:34])[F:35].[Li+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6]1)[C:7]1([CH2:8][CH2:9][N:10]([CH2:13][c:14]3[c:15]([CH2:26][OH:27])[n:16][n:17](-[c:19]4[n:20][cH:21][cH:22][cH:23][c:24]4[Cl:25])[cH:18]3)[CH2:11][CH2:12]1)[O:31][CH2:32][C:33]2([F:34])[F:35]