HRID134921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID15908

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

C8H17N3

HCID79242

Hydrazinecarboxylic acid, phenylmethyl ester

C8H10N2O2

结构：CC(C)(C)OC(=O)N1CCC(Cc2cccc(Nc3ccnn3C(C)(C)C)n2)(C(=O)O)CC1

HCID66890996

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Cc2cccc(Nc3ccnn3C(C)(C)C)n2)(C(=O)NNC(=O)OCc2ccccc2)CC1

HCID66889476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0918ee5740b8440a999e5ca1fae01edb
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([C:14](=[O:15])[OH:16])([CH2:17][c:18]2[n:19][c:20]([NH:24][c:25]3[cH:26][cH:27][n:28][n:29]3[C:30]([CH3:31])([CH3:32])[CH3:33])[cH:21][cH:22][cH:23]2)[CH2:12][CH2:13]1.[C:34]([NH:35][NH2:36])(=[O:37])[O:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH:59]([Cl:60])([Cl:61])[Cl:62].[ClH:46].[OH2:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([C:14](=[O:16])[NH:36][NH:35][C:34](=[O:37])[O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([CH2:17][c:18]2[n:19][c:20]([NH:24][c:25]3[cH:26][cH:27][n:28][n:29]3[C:30]([CH3:31])([CH3:32])[CH3:33])[cH:21][cH:22][cH:23]2)[CH2:12][CH2:13]1