HRID89772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID3356829

Propargyl chloroformate

C4H3ClO2

结构：CC1=CC2C(C(C)C)CCC(C)C2(O)C(OC(=O)C2CC3(O)c4cccc(Cl)c4N(C)OC3N2)C1O

HCID178421954

未命名化合物

PRODUCTS

生成物

结构：C#CCOC(=O)OC1C(C)=CC2C(C(C)C)CCC(C)C2(O)C1OC(=O)C1CC2(O)c3cccc(Cl)c3N(C)OC2N1

HCID178459891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07dfedd0ccd8430da3f56c5e7561df7b
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

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