HRID666682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID306104

4-iodobenzohydrazide

C7H7IN2O

HCID66980943

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(C(=O)NNC(=O)c2ccc(I)cc2)C(C)O)ccc(C#N)c1Cl

HCID178430585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b90f5117f6d4f8092d72b452b587565
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:1][c:2]1[c:3]([CH3:18])[c:4]([NH:10][CH:11]([C:12](=[O:13])[OH:14])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9].[I:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][NH2:27])[cH:28][cH:29]1.[OH2:30].[OH:31][n:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[Cl:1][c:2]1[c:3]([CH3:18])[c:4]([NH:10][CH:11]([C:12](=[O:14])[NH:27][NH:26][C:24]([c:23]2[cH:22][cH:21][c:20]([I:19])[cH:29][cH:28]2)=[O:25])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9]