HRID1208617

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID58026064

未命名化合物

结构：COc1cnc(-n2cnc(C(C)O)n2)c2[nH]cc(C(=O)C(=O)O)c12

HCID58026067

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(-n2cnc(C(C)O)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(ncnc4-c4ccccn4)C3)c12

HCID44602861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0603d369d62a4668b6db0c3953d0881b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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