HRID121881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1Cc1c[nH]c2ccccc12

HCID21978777

未命名化合物

HCID73857293

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC=NOCCN2CCOCC2)CC1Cc1c[nH]c2ccccc12

HCID178519648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ea8b6b2e96148bf8c861bb8652ce139
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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