HRID158453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5943

Carbon tetrachloride

CCl4

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

结构：OCCC(=C(c1ccc(OCCOCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1

HCID53900148

未命名化合物

PRODUCTS

生成物

结构：ClCCC(=C(c1ccc(OCCOCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1

HCID53667496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-763af39a75274c2bae5f435563342e9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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