HRID115665

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

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

HCID81531

Diisopropylethylamine

C8H19N

HCID86644316

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(Cl)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

HCID86644312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-238294247a1b488f9b01a07d9f245d68
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

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