HRID682965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID613657

6-chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

C6H2ClF3N4

结构：CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(C3CCNCC3)cc2)CC1

HCID68497945

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1

HCID68500015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8522031bf554ad5a9a59788768c5bb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[cH:12][cH:13][c:14]2[n:15]([n:16]1)[c:17]([C:20]([F:21])([F:22])[F:23])[n:18][n:19]2.[NH:24]1[CH2:25][CH2:26][CH:27]([c:30]2[cH:31][cH:32][c:33]([O:34][CH2:35][CH2:36][CH2:37][N:38]3[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:42][CH2:43]3)[cH:51][cH:52]2)[CH2:28][CH2:29]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[c:11]1([N:24]2[CH2:25][CH2:26][CH:27]([c:30]3[cH:31][cH:32][c:33]([O:34][CH2:35][CH2:36][CH2:37][N:38]4[CH2:39][CH2:40][N:41]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:42][CH2:43]4)[cH:51][cH:52]3)[CH2:28][CH2:29]2)[cH:12][cH:13][c:14]2[n:15]([n:16]1)[c:17]([C:20]([F:21])([F:22])[F:23])[n:18][n:19]2