HRID1222856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID22523

5-Nitroindole

C8H6N2O2

结构：COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(N)cc34)CC2)cc1

HCID19936462

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(NC(C)=O)cc34)CC2)cc1

HCID19936498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a296ebf80094a23a2c2c72ad5b601f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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