HRID113121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4721289

N-(4-methoxybenzyl)cyclopropanamine

C11H15NO

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

HCID59624531

8-Bromo-6-chloro-N-(2-chloropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C12H6BrCl2N5O

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

HCID59624781

6,8-Dichloro-N-(2-chloropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C12H6Cl3N5O

PRODUCTS

生成物

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

HCID59624874

6-Chloro-N-(2-chloro-4-pyridinyl)-8-[cyclopropyl[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C23H20Cl2N6O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f6a090e131f46489e9f790bdc47885e
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:22][c:23]1[c:24]2[n:25]([c:26]([C:27]([NH:28][c:29]3[cH:30][cH:31][n:32][c:33]([Cl:34])[cH:35]3)=[O:36])[cH:37][n:38]2)[n:39][c:40]([Cl:41])[cH:42]1.[CH3:43][O:44][c:45]1[cH:46][cH:47][c:48]([CH2:49][NH:50][CH:51]2[CH2:52][CH2:53]2)[cH:54][cH:55]1.[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:1][c:2]1[cH:3][c:4]([Cl:21])[c:5]2[n:6]([n:7]1)[c:8]([C:11](=[O:12])[NH:13][c:14]1[cH:15][c:16]([Cl:20])[n:17][cH:18][cH:19]1)[cH:9][n:10]2.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[Cl:1][c:2]1[cH:3][c:4]([N:50]([CH2:49][c:48]2[cH:47][cH:46][c:45]([O:44][CH3:43])[cH:55][cH:54]2)[CH:51]2[CH2:52][CH2:53]2)[c:5]2[n:6]([n:7]1)[c:8]([C:11](=[O:12])[NH:13][c:14]1[cH:15][c:16]([Cl:20])[n:17][cH:18][cH:19]1)[cH:9][n:10]2