HRID147623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID7010344

2-(dimethylamino)acetyl chloride

C4H8ClNO

结构：Cc1c(-c2ccc(C(=O)N3CCCC(N)C3)s2)noc1C(F)(F)F

HCID68905315

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(C(=O)N3CCCC(NC(=O)CN(C)C)C3)s2)noc1C(F)(F)F

HCID68565278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62a3f984967a4b958e285fd124eab2ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:27][N:28]([CH3:29])[CH2:30][C:31](=[O:32])[Cl:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[ClH:25].[ClH:26].[NH2:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[c:10]2[s:11][c:12](-[c:15]3[n:16][o:17][c:18]([C:21]([F:22])([F:23])[F:24])[c:19]3[CH3:20])[cH:13][cH:14]2)[CH2:5][CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH2:3][N:4]([C:8](=[O:9])[c:10]2[s:11][c:12](-[c:15]3[n:16][o:17][c:18]([C:21]([F:22])([F:23])[F:24])[c:19]3[CH3:20])[cH:13][cH:14]2)[CH2:5][CH2:6][CH2:7]1)[C:31]([CH2:30][N:28]([CH3:27])[CH3:29])=[O:32]