HRID2319352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1068

Dimethyl sulfide

C2H6S

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1c(-c2ccc(F)cc2)nnc(N2CCN(Cc3ccccc3)C(=O)C2C)c1C

HCID58359257

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(F)cc2)nnc(N2CCN(Cc3ccccc3)CC2C)c1C

HCID58359249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b27ebeeeb19499ebd7a8a271a7adbdd
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

[BH3:34].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[O:30])[CH:10]([CH3:29])[N:11]([c:14]2[n:15][n:16][c:17](-[c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[c:18]([CH3:21])[c:19]2[CH3:20])[CH2:12][CH2:13]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:31][S:32][CH3:33].[CH3:35][OH:36].[ClH:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH3:29])[N:11]([c:14]2[n:15][n:16][c:17](-[c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[c:18]([CH3:21])[c:19]2[CH3:20])[CH2:12][CH2:13]1