HRID205488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7304

1-Methylpyrrole

C5H7N

HCID8857

Ethyl acetate

C4H8O2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cccn1C

HCID2769397

1-Methyl-2-(tributylstannyl)pyrrole

C17H33NSn

结构：Fc1ccc(CCN2CCC(n3ccc4ccc(Br)cc43)CC2)cc1

HCID22038188

未命名化合物

PRODUCTS

生成物

结构：Cn1cccc1-c1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

HCID22037951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-646bf249095e458bac6e9be48bd9e1e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:26][n:27]1[c:28]([Sn:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[cH:29][cH:30][cH:31]1.[CH3:45][n:46]1[cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([n:14]3[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20]([Br:23])[cH:21][c:22]34)[CH2:12][CH2:13]2)[cH:24][cH:25]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([n:14]3[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20](-[c:28]5[n:27]([CH3:26])[cH:31][cH:30][cH:29]5)[cH:21][c:22]34)[CH2:12][CH2:13]2)[cH:24][cH:25]1