HRID286225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID11558796

5-iodo-2-butoxynicotinic acid

C10H12INO3

HCID23511608

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1ncc(I)cc1C(=O)Nc1c(CC)nn(CCOC)c1C(N)=O

HCID23511635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f422939605a945f6aef7f57bc6c240de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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