HRID2126577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID59166722

未命名化合物

HCID59257834

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1CC2CC(=O)Nc3cccc1c32)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

HCID11554499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15e19e6b9d1142efb75f7983395055f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Li+:37].[NH2:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH2:7][C:6]1([CH2:5]2)[C:11](=[O:19])[NH:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]21.[O:20]=[C:21]1[NH:22][c:23]2[cH:24][cH:25][cH:26][c:27]3[c:28]2[CH:29]([CH2:30]1)[CH2:31][N:32]3[CH2:33][C:34](=[O:35])[O-:36].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH2:7][C:6]1([CH2:5]2)[C:11](=[O:19])[NH:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]21)[C:34]([CH2:33][N:32]1[c:27]2[cH:26][cH:25][cH:24][c:23]3[c:28]2[CH:29]([CH2:30][C:21](=[O:20])[NH:22]3)[CH2:31]1)=[O:35]