HRID210431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8058

n-Hexane

C6H14

HCID11157

Benzylhydrazine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)CC(C(=O)O)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID69711055

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NNCc1ccccc1)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91a842f82efc4254b11a0e866d99cc54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH:23]([CH3:24])[CH3:25].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[NH:42][NH2:43].[CH2:55]([N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64])[CH3:65].[CH3:26][N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH3:71][CH2:72][CH2:73][CH2:74][CH2:75][CH3:76].[ClH:33].[ClH:34].[OH2:44].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:21])[NH:43][NH:42][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:22][CH:23]([CH3:24])[CH3:25]