HRID2310049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

HCID8900

Heptane

C7H16

HCID28486

Lithium ion

Li+

HCID2064111

1-methyl-1H-pyrrole-2-carbonitrile

C6H6N2

HCID5062348

未命名化合物

HCID67077159

未命名化合物

HCID135950306

未命名化合物

PRODUCTS

生成物

HCID67077253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a723801ddff343d1b687266f26935ff3
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:1][c:2]1[cH:3][c:4]([CH3:13])[n:5][c:6]2[c:7]([OH:12])[cH:8][cH:9][cH:10][c:11]12.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH2:60]([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH3:67].[CH3:14][n:15]1[c:16]([C:20]#[N:21])[cH:17][cH:18][cH:19]1.[CH3:22][c:23]1[cH:24][c:25](-[c:26]2[n:27]([CH3:28])[cH:29][cH:30][n:31]2)[c:32]2[c:33]([c:34]([OH:35])[cH:36][cH:37][cH:38]2)[n:39]1.[CH3:41][CH:42]([N-:43][CH:44]([CH3:45])[CH3:46])[CH3:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Li+:40]>>[c:2]1(-[c:19]2[n:15]([CH3:14])[c:16]([C:20]#[N:21])[cH:17][cH:18]2)[cH:3][c:4]([CH3:13])[n:5][c:6]2[c:7]([OH:12])[cH:8][cH:9][cH:10][c:11]12