HRID186934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID21336317

未命名化合物

结构：Cc1ccncc1CN(c1ccccc1)C1CCN(C(C)CCN)CC1

HCID178428386

未命名化合物

PRODUCTS

生成物

结构：Cc1ccncc1CN(c1ccccc1)C1CCN(C(C)CCNC(=O)c2c(C)cc(C#N)cc2C)CC1

HCID68971745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e21f2ec58a2481996393a57c20fac14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:48](#[N:49])[c:50]1[cH:51][c:52]([CH3:60])[c:53]([C:54](=[O:55])[OH:56])[c:57]([CH3:59])[cH:58]1.[CH3:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[NH2:1][CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][c:20]2[cH:21][n:22][cH:23][cH:24][c:25]2[CH3:26])[CH2:10][CH2:11]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[NH:1]([CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][c:20]2[cH:21][n:22][cH:23][cH:24][c:25]2[CH3:26])[CH2:10][CH2:11]1)[C:54]([c:53]1[c:52]([CH3:60])[cH:51][c:50]([C:48]#[N:49])[cH:58][c:57]1[CH3:59])=[O:55]