HRID1138782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

结构：O=C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID4585508

未命名化合物

HCID59557698

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：C=CCOCc1cc(Cl)c(Cc2ccc(CC)cc2)cc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID69004900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-844a913951694b1496af8b10cbc1415e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[O:35][CH:36]1[C:37](=[O:67])[O:38][CH:39]([CH2:58][O:59][CH2:60][c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[CH:40]([O:50][CH2:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[CH:41]1[O:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH2:6]([CH:7]=[CH2:8])[O:9][CH2:10][c:11]1[c:12]([Br:27])[cH:13][c:14]([CH2:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][CH3:26])[cH:23][cH:24]2)[c:15]([Cl:17])[cH:16]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:73][C:74]#[N:75]>>[CH2:6]([CH:7]=[CH2:8])[O:9][CH2:10][c:11]1[c:12]([CH:37]2[CH:36]([O:35][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH:41]([O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH:40]([O:50][CH2:51][c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[CH:39]([CH2:58][O:59][CH2:60][c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)[O:38]2)[cH:13][c:14]([CH2:18][c:19]2[cH:20][cH:21][c:22]([CH2:25][CH3:26])[cH:23][cH:24]2)[c:15]([Cl:17])[cH:16]1