HRID121516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4721289

N-(4-methoxybenzyl)cyclopropanamine

C11H15NO

结构：O=C(Nc1ccnc(F)c1)c1cnc2c(Br)cc(Cl)nn12

HCID59624450

未命名化合物

2 次

结构：O=C(Nc1ccnc(F)c1)c1cnc2c(Cl)cc(Cl)nn12

HCID59624683

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccnc(F)c4)cnc23)C2CC2)cc1

HCID59624328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb12d6663bcc4b2f8a663cf85d3087b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:35][c:36]1[c:37]2[n:38]([c:39]([C:40]([NH:41][c:42]3[cH:43][cH:44][n:45][c:46]([F:47])[cH:48]3)=[O:49])[cH:50][n:51]2)[n:52][c:53]([Cl:54])[cH:55]1.[Br:56][c:57]1[c:58]2[n:59]([c:60]([C:61]([NH:62][c:63]3[cH:64][cH:65][n:66][c:67]([F:68])[cH:69]3)=[O:70])[cH:71][n:72]2)[n:73][c:74]([Cl:75])[cH:76]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH:8][CH:9]2[CH2:10][CH2:11]2)[cH:12][cH:13]1.[CH:77]([N:78]([CH2:79][CH3:80])[CH:81]([CH3:82])[CH3:83])([CH3:84])[CH3:85].[Cl:14][c:15]1[cH:16][c:17]([Cl:34])[c:18]2[n:19]([n:20]1)[c:21]([C:24](=[O:25])[NH:26][c:27]1[cH:28][c:29]([F:33])[n:30][cH:31][cH:32]1)[cH:22][n:23]2.[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[OH2:91]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([CH:9]2[CH2:10][CH2:11]2)[c:17]2[cH:16][c:15]([Cl:14])[n:20][n:19]3[c:18]2[n:23][cH:22][c:21]3[C:24](=[O:25])[NH:26][c:27]2[cH:28][c:29]([F:33])[n:30][cH:31][cH:32]2)[cH:12][cH:13]1