HRID2155403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID18374

1,4-Diaminocyclohexane

C6H14N2

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

PRODUCTS

生成物

结构：COc1ccc(CN(c2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccnc(Cl)c4)cnc23)C2CC2)cc1

HCID59624752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cbb317966eb4791bfcef75ef645ba0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:1][c:2]1[cH:3][c:4]([N:21]([CH2:22][c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[CH:31]2[CH2:32][CH2:33]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.[NH2:34][CH:35]1[CH2:36][CH2:37][CH:38]([NH2:41])[CH2:39][CH2:40]1.[OH2:49]>>[c:2]1([NH:41][CH:38]2[CH2:37][CH2:36][CH:35]([NH2:34])[CH2:40][CH2:39]2)[cH:3][c:4]([N:21]([CH2:22][c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[CH:31]2[CH2:32][CH2:33]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