HRID310210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC1(CC1)C(=O)N2C

HCID57635014

未命名化合物

HCID58154049

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(C2CCC(NC(=O)c3ccc(Nc4ncc5c(n4)N(C4CCCC4)CC4(CC4)C(=O)N5C)c(OC)c3)CC2)CC1

HCID42640566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0121e47cdd134210bdf2f4798b0eb52b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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