HRID944247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

结构：CN(C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)c1ccccc1OCCC(=O)O

HCID25158741

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)c1ccccc1OCCC(=O)NCCNC(=O)OC(C)(C)C

HCID68603955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26f1b58b2050403eb30c878ca497d696
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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