HRID951825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8085

2-Methyl-N-(2-methylpropyl)-1-propanamine

C8H19N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)O)cc3c2CCNC(=O)OC(C)(C)C)c1

HCID22120674

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CCNC(=O)OC(C)(C)C)c1

HCID54298340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2970b885f7d042088d53c289c435bf0d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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