HRID2316101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID69110

Benzoyl chloride, 2-chloro-

C7H4Cl2O

结构：O=C(c1cc2c(s1)CCNC2)N1CCC2(CC1)CCN(c1ccncc1)CC2

HCID59483847

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc2c(s1)CCN(C(=O)c1ccccc1Cl)C2)N1CCC2(CC1)CCN(c1ccncc1)CC2

HCID46897096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f149471320e425085c04b52a2b33f28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:37][C:38](=[O:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[Cl:46].[Cl:47][CH2:48][Cl:49].[ClH:1].[n:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11]3([CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]4[cH:20][c:21]5[c:26]([s:27]4)[CH2:25][CH2:24][NH:23][CH2:22]5)[CH2:15][CH2:16]3)[CH2:28][CH2:29]2)[cH:6][cH:7]1>>[n:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][C:11]3([CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]4[cH:20][c:21]5[c:26]([s:27]4)[CH2:25][CH2:24][N:23]([C:38](=[O:39])[c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]4[Cl:46])[CH2:22]5)[CH2:15][CH2:16]3)[CH2:28][CH2:29]2)[cH:6][cH:7]1