HRID117801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID87118

1-Octadecyl-1H-pyrrole-2,5-dione

C22H39NO2

HCID15324501

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCCCN1C(=O)CC(Sc2cc(C)c(N)c(C(C)(C)C)c2)C1=O

HCID15324511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f885e5493414c2caff2cc80548a8062
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

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