HRID669054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID3485182

Cyclopentylacetyl chloride

C7H11ClO

结构：CC1Cc2ccc(C3CCNCC3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402258

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccc(C3CCN(C(=O)CC4CCCC4)CC3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50dcfe5e692d4431a1a7d73fffad008e
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

[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:31])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18]([CH:25]5[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1.[CH3:51][C:52]#[N:53].[CH3:54][OH:55].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[CH:42]1([CH2:47][C:48](=[O:49])[Cl:50])[CH2:43][CH2:44][CH2:45][CH2:46]1.[ClH:32]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([NH2:31])[n:11][c:12]([N:14]3[CH2:15][c:16]4[cH:17][c:18]([CH:25]5[CH2:26][CH2:27][N:28]([C:48]([CH2:47][CH:42]6[CH2:43][CH2:44][CH2:45][CH2:46]6)=[O:49])[CH2:29][CH2:30]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1