HRID125001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5948

Tributyltin

C12H28Sn

HCID7964

Chlorobenzene

C6H5Cl

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

2 次

HCID266411

未命名化合物

HCID688178

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC1CCCCC1O

HCID22507645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6f2251fe06744518480f7657a4ea1a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:14][CH:15]1[CH:16]([OH:21])[CH2:17][CH2:18][CH2:19][CH2:20]1.[C:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)(=[O:29])[O:30][CH:31]1[CH2:32][C:33]([CH3:40])([CH3:41])[N:34]([OH:39])[C:35]([CH3:37])([CH3:38])[CH2:36]1.[C:56]([O:57][CH2:58][CH3:59])(=[O:60])[CH3:61].[CH2:1]([SnH:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[Cl:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH:15]1([O:39][N:34]2[C:33]([CH3:40])([CH3:41])[CH2:32][CH:31]([O:30][C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)=[O:29])[CH2:36][C:35]2([CH3:37])[CH3:38])[CH:16]([OH:21])[CH2:17][CH2:18][CH2:19][CH2:20]1