HRID2341058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

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

HCID59511451

未命名化合物

HCID178420466

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(-n2cnc(NC(=O)C(C)(C)C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(c4nnnn4-c4ccccn4)CC3)c12

HCID59511512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77d752ee40744c4daf46abea19e29fb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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