HRID1556046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7498

alpha-Bromotoluene

C7H7Br

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID59693

Fadrozole

C14H13N3

HCID5062348

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：N#Cc1ccc(C2(Cc3ccccc3)CCCc3cncn32)cc1

HCID14097201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c631d47e981d4b3eb9cfe85cf2b3817c
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

[Br:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[C:21](#[N:22])[c:23]1[cH:24][cH:25][c:26]([CH:29]2[CH2:30][CH2:31][CH2:32][c:33]3[n:34]2[cH:35][n:36][cH:37]3)[cH:27][cH:28]1.[CH2:16]([Li:17])[CH2:18][CH2:19][CH3:20].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:9]([NH:10][CH:11]([CH3:12])[CH3:13])([CH3:14])[CH3:15].[ClH:46].[Li+:8].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[C:21](#[N:22])[c:23]1[cH:24][cH:25][c:26]([C:29]2([CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:30][CH2:31][CH2:32][c:33]3[n:34]2[cH:35][n:36][cH:37]3)[cH:27][cH:28]1.[ClH:46]