HRID195652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8127

Heptylamine

C7H17N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

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-5f9bd45c26814c3cada2e3ab223200b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:37]([CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[NH2:44].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:45]1([N:46]=[C:47]=[N:48][CH:49]2[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:26].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]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:44][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[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