HRID674606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID6581

Acrylic acid

C3H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：CN1CCC(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2N)CC1

HCID11190601

未命名化合物

PRODUCTS

生成物

结构：C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCC1CCN(C)CC1

HCID11409874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fda9ad611ba441cba2dd5b51c672a0c5
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

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