HRID1227959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID163217

2,2-Dimethylhexanoic acid

C8H16O2

结构：COCCCn1ncc2ccc(CC(CC(NC(=O)OC(C)(C)C)C(O)CN)C(C)C)cc21

HCID178495255

未命名化合物

PRODUCTS

生成物

结构：CCCCC(C)(C)C(=O)NCC(O)C(CC(Cc1ccc2cnn(CCCOC)c2c1)C(C)C)NC(=O)OC(C)(C)C

HCID178443838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b926886d6074185981f3cae39ddaf01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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