HRID189841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

结构：COc1ccc(Nc2ncc3c(n2)-c2ccc(C(=O)O)cc2NC(=O)C3)cc1OC

HCID59851270

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2ncc3c(n2)-c2ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc2NC(=O)C3)cc1OC

HCID59851365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-debf6fb78cf7494dad47f8aac393bf3f
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

[B-:40]([F:41])([F:42])([F:43])[F:44].[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:11][c:12]2[n:13][cH:14][c:15]3[c:16]([n:30]2)-[c:17]2[c:18]([cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]2)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[NH2:62][CH2:63][CH2:64][NH:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:11][c:12]2[n:13][cH:14][c:15]3[c:16]([n:30]2)-[c:17]2[c:18]([cH:23][c:24]([C:27](=[O:28])[NH:62][CH2:63][CH2:64][NH:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72])[cH:25][cH:26]2)[NH:19][C:20](=[O:22])[CH2:21]3)[cH:6][cH:7][c:8]1[O:9][CH3:10]