HRID180387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID23282935

tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate

C12H22N2O2

结构：Cc1cc(Nc2cc(Cl)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)[nH]n1

HCID178428219

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2cc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1

HCID68814918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3ff092f3ef44e27b5de688d88be99d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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