HRID89993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1

HCID376351

4-(5-chlorobenzimidazol-2-yl)benzoic acid

C14H9ClN2O2

HCID693792

1,2,2,6,6-Pentamethylpiperidin-4-amine

C10H22N2

PRODUCTS

生成物

结构：CN1C(C)(C)CC(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)CC1(C)C

HCID9845284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5abdb32214eb4d8093076c134efeaba9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:42][N:43]1[C:44]([CH3:52])([CH3:53])[CH2:45][CH:46]([NH2:51])[CH2:47][C:48]1([CH3:49])[CH3:50].[CH3:59][C:60]#[N:61].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]3)[nH:8]2)[cH:18][cH:19]1.[ClH:30].[OH:20][n:21]1[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([C:13](=[O:15])[NH:51][CH:46]4[CH2:45][C:44]([CH3:52])([CH3:53])[N:43]([CH3:42])[C:48]([CH3:49])([CH3:50])[CH2:47]4)[cH:16][cH:17]3)[nH:8]2)[cH:18][cH:19]1