HRID1551662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID230282

3-Cyanoindole

C9H6N2

结构：FC(F)(F)C1(c2ccc3c(cnn3-c3ccccc3)c2)CO1

HCID57943251

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cn(CC(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c2ccccc12

HCID15980904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1558884209f243d5b526a449ea82c439
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:35][CH2:36][O-:37].[Na+:34].[OH2:38].[c:1]1(-[n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([C:16]4([C:19]([F:20])([F:21])[F:22])[O:17][CH2:18]4)[cH:13][cH:14][c:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[nH:23]1[cH:24][c:25]([C:32]#[N:33])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12>>[c:1]1(-[n:7]2[n:8][cH:9][c:10]3[cH:11][c:12]([C:16]([OH:17])([CH2:18][n:23]4[cH:24][c:25]([C:32]#[N:33])[c:26]5[cH:27][cH:28][cH:29][cH:30][c:31]45)[C:19]([F:20])([F:21])[F:22])[cH:13][cH:14][c:15]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1