HRID826226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79882

2,2-Dimethyl-1-propylamine

C5H13N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)Cn1cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cn1

HCID59589906

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CNC(=O)Cn1cc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cn1

HCID59589640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ec372b42ded412f992ab886e6026dd2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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