HRID308208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID643500

Cyclopentyl isocyanate

C6H9NO

结构：CC1Cc2ccc(C3=CCNCC3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402262

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccc(C3=CCN(C(=O)NC4CCCC4)CC3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0db4f42079a84285a88cd457147b5602
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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]([C:25]5=[CH:30][CH2:29][NH:28][CH2:27][CH2:26]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][OH:55].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[N:41](=[C:42]=[O:43])[CH:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[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]([C:25]5=[CH:30][CH2:29][N:28]([C:42]([NH:41][CH:44]6[CH2:45][CH2:46][CH2:47][CH2:48]6)=[O:43])[CH2:27][CH2:26]5)[cH:19][cH:20][c:21]4[CH2:22][CH:23]3[CH3:24])[cH:13]2)[CH2:6][CH2:7]1