HRID2349065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

HCID22030847

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCC1CCNCC1

HCID22030873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3f708ed2cde406aaef84f9350d22c85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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