HRID95365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19709

3,3-Dimethylbutylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Cc1cc(C)c2c(C#N)c(C=CC(=O)[O-])n(C(c3ccccc3)c3ccccc3)c2n1

HCID178423818

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c2c(C#N)c(C=CC(=O)NCCC(C)(C)C)n(C(c3ccccc3)c3ccccc3)c2n1

HCID69058594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c5b44bacf8f4b7e81fefaca20cbaf18
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

[C:32]([Cl:33])(=[O:34])[C:35]([Cl:36])=[O:37].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:38][C:39]([CH2:40][CH2:41][NH2:42])([CH3:43])[CH3:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([CH:27]=[CH:28][C:29](=[O:30])[O-:31])[c:16]([C:25]#[N:26])[c:17]2[c:18]1[n:19][c:20]([CH3:24])[cH:21][c:22]2[CH3:23].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:57]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[c:15]([CH:27]=[CH:28][C:29](=[O:31])[NH:42][CH2:41][CH2:40][C:39]([CH3:38])([CH3:43])[CH3:44])[c:16]([C:25]#[N:26])[c:17]2[c:18]1[n:19][c:20]([CH3:24])[cH:21][c:22]2[CH3:23]