HRID1129447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15581471

2-Chloro-3-methoxyphenol

C7H7ClO2

结构：CC(C)CC(C(=O)Nc1ccn(CC2COC(C)(C)O2)n1)n1ncc(I)cc1=O

HCID178445157

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Oc2cnn(C(CC(C)C)C(=O)Nc3ccn(CC4COC(C)(C)O4)n3)c(=O)c2)c1Cl

HCID178491311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2122cde4a3e4ba0b4da9b2144880ddd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][C:2]1([CH3:29])[O:3][CH2:4][CH:5]([CH2:7][n:8]2[n:9][c:10]([NH:13][C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[n:20]3[n:21][cH:22][c:23]([I:27])[cH:24][c:25]3=[O:26])=[O:28])[cH:11][cH:12]2)[O:6]1.[Cl:30][c:31]1[c:32]([OH:39])[cH:33][cH:34][cH:35][c:36]1[O:37][CH3:38]>>[CH3:1][C:2]1([CH3:29])[O:3][CH2:4][CH:5]([CH2:7][n:8]2[n:9][c:10]([NH:13][C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[n:20]3[n:21][cH:22][c:23]([O:39][c:32]4[c:31]([Cl:30])[c:36]([O:37][CH3:38])[cH:35][cH:34][cH:33]4)[cH:24][c:25]3=[O:26])=[O:28])[cH:11][cH:12]2)[O:6]1