HRID685496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID75655

4-(4-Morpholino)aniline

C10H14N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COc1cc(N2CCCN(C)CC2)c2[nH]c(C(=O)O)cc(=O)c2c1

HCID22142171

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCCN(C)CC2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1

HCID22184652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61d6bbf0ddf24acf8432034d14dbf1d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B-:34]([F:35])([F:36])([F:37])[F:38].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](=[O:24])[cH:7][c:8]([C:21](=[O:22])[OH:23])[nH:9][c:10]2[c:11]([N:13]2[CH2:14][CH2:15][N:16]([CH3:20])[CH2:17][CH2:18][CH2:19]2)[cH:12]1.[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:84][OH:85].[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[O:66]1[CH2:67][CH2:68][N:69]([c:72]2[cH:73][cH:74][c:75]([NH2:76])[cH:77][cH:78]2)[CH2:70][CH2:71]1.[OH:56][n:57]1[c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[n:64][n:65]1.[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6](=[O:24])[cH:7][c:8]([C:21](=[O:22])[NH:76][c:75]3[cH:74][cH:73][c:72]([N:69]4[CH2:68][CH2:67][O:66][CH2:71][CH2:70]4)[cH:78][cH:77]3)[nH:9][c:10]2[c:11]([N:13]2[CH2:14][CH2:15][N:16]([CH3:20])[CH2:17][CH2:18][CH2:19]2)[cH:12]1