HRID121924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID59447713

未命名化合物

HCID67339687

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(C)nc(N2CCC(C(=O)NCc3ccc(C#N)cc3C(F)(F)F)CC2)n1

HCID25261292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-968940942c534f04b58a6ca7e8f5eced
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

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