HRID135155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID142825

1-[(Pyrrolidin-2-yl)methyl]pyrrolidine

C9H18N2

HCID736498

4-(Thiophen-2-yl)benzoic acid

C11H8O2S

PRODUCTS

生成物

结构：O=C(c1ccc(-c2cccs2)cc1)N1CCCC1CN1CCCC1

HCID11515647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-598ac5e905e0451d98f01ca361b9aadb
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

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