HRID161579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID947

Nitrogen

HCID6598

Dimethylcarbamoyl chloride

C3H6ClNO

HCID8028

Tetrahydrofuran

C4H8O

结构：COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn2c1C1CCNCC1

HCID57955166

未命名化合物

PRODUCTS

生成物

结构：COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn2c1C1CCN(C(=O)N(C)C)CC1

HCID57955324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e63556a48f254f5faefbbd2bf5b0aea6
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

[CH3:48][N:49]([C:50](=[O:51])[Cl:52])[CH3:53].[Cl:44][CH2:45][CH2:46][Cl:47].[N:1]#[N:2].[NH2:3][c:4]1[n:5][cH:6][n:7][n:8]2[c:9]1[c:10](-[c:22]1[cH:23][c:24]([F:43])[c:25]([NH:28][C:29](=[O:30])[NH:31][c:32]3[c:33]([F:42])[cH:34][cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]3)[cH:26][cH:27]1)[c:11]([CH2:19][O:20][CH3:21])[c:12]2[CH:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[NH2:3][c:4]1[n:5][cH:6][n:7][n:8]2[c:9]1[c:10](-[c:22]1[cH:23][c:24]([F:43])[c:25]([NH:28][C:29](=[O:30])[NH:31][c:32]3[c:33]([F:42])[cH:34][cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]3)[cH:26][cH:27]1)[c:11]([CH2:19][O:20][CH3:21])[c:12]2[CH:13]1[CH2:14][CH2:15][N:16]([C:50]([N:49]([CH3:48])[CH3:53])=[O:51])[CH2:17][CH2:18]1