HRID139445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID83082

m-Toluohydrazide

C8H10N2O

结构：Cc1ccc2nc(C(=O)O)c(OCc3ccccc3)c(=O)n2c1

HCID57494535

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(=O)NNC(=O)c2nc3ccc(C)cn3c(=O)c2OCc2ccccc2)c1

HCID59392915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ce414d5e1cf4b32ae6a06f532f43841
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

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