HRID2342827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID10908

tert-Butyl acetate

C6H12O2

HCID589711

未命名化合物

HCID68493595

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(=C2c3ccccc3OCc3cc(CC(=O)OC(C)(C)C)sc32)CC1

HCID86649445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3aa7b65f2824419fa2d994f947b5f2c3
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:29][c:30]1[cH:31][c:32]2[c:38]([s:39]1)[C:37](=[C:40]1[CH2:41][CH2:42][N:43]([CH3:46])[CH2:44][CH2:45]1)[c:36]1[c:35]([cH:50][cH:49][cH:48][cH:47]1)[O:34][CH2:33]2.[C:21]([CH3:22])(=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[CH2:16]([Li:17])[CH2:18][CH2:19][CH3:20].[CH3:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15].[CH3:1][SiH:2]([CH3:3])[N:4]([CH3:5])[Si:6]([CH3:7])([CH3:8])[CH3:9].[OH2:51]>>[C:21]([CH2:22][c:30]1[cH:31][c:32]2[c:38]([s:39]1)[C:37](=[C:40]1[CH2:41][CH2:42][N:43]([CH3:46])[CH2:44][CH2:45]1)[c:36]1[c:35]([cH:50][cH:49][cH:48][cH:47]1)[O:34][CH2:33]2)(=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28]