HRID205138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID15096

Tributyltin chloride

C12H27ClSn

结构：CC(C)(C)OC(=O)N(c1ccc(N2CCOCC2)cc1)c1ncc(Br)n2ncnc12

HCID86619661

未命名化合物

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnc(N(C(=O)OC(C)(C)C)c2ccc(N3CCOCC3)cc2)c2ncnn12

HCID67047357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1755a226d654544990451727f845946
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

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