HRID1539190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8127

Heptylamine

C7H17N

结构：O=C(O)CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

HCID18958712

5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]pentanoic acid

C20H20N2O2S

PRODUCTS

生成物

结构：CCCCCCCNC(=O)CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

HCID2817799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6988eab6bc34fe9ad5c45a671beb9b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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