HRID89164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8016

N-Methyl-N-hydroxyethylamine

C3H9NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1nc2c(OC3CCOc4ccccc43)cc(C(=O)O)cc2n1C

HCID68689166

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c(OC3CCOc4ccccc43)cc(C(=O)N(C)CCO)cc2n1C

HCID59303890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4d102556953483d8cbbe43b1442840d
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

[CH3:26][NH:27][CH2:28][CH2:29][OH:30].[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[ClH:31].[O:1]1[CH2:2][CH2:3][CH:4]([O:11][c:12]2[cH:13][c:14]([C:23](=[O:24])[OH:25])[cH:15][c:16]3[n:17]([CH3:22])[c:18]([CH3:21])[n:19][c:20]23)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[OH2:43].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[O:1]1[CH2:2][CH2:3][CH:4]([O:11][c:12]2[cH:13][c:14]([C:23](=[O:25])[N:27]([CH3:26])[CH2:28][CH2:29][OH:30])[cH:15][c:16]3[n:17]([CH3:22])[c:18]([CH3:21])[n:19][c:20]23)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21