HRID320311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6579

Acrylamide

C3H5NO

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

PRODUCTS

生成物

结构：NC(=O)CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1

HCID88307379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b42b4764ece42999ba3670123dc74f3
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

[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][nH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32].[NH2:33][C:34](=[O:35])[CH:36]=[CH2:37]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][nH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:10][N:11]([CH2:37][CH2:36][C:34]([NH2:33])=[O:35])[CH2:12][CH2:13]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32]