HRID89327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID58442681

未命名化合物

HCID67413810

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cnc2cccnn12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

HCID46213948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3cb7d2f1c7d40ff9ebe4703122f0040
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:51][S:52]([CH3:53])=[O:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[Cl:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][c:10]([CH2:11][N:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:18][cH:19][cH:20]2)[cH:21][cH:22]1.[ClH:1].[c:32]1([O:38][C:39](=[O:33])[NH:40][c:41]2[cH:42][n:43][c:44]3[n:45]2[n:46][cH:47][cH:48][cH:49]3)[cH:34][cH:35][cH:36][cH:37][cH:50]1>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][c:10]([CH2:11][N:12]3[CH2:13][CH2:14][N:15]([C:39](=[O:38])[NH:40][c:41]4[cH:42][n:43][c:44]5[n:45]4[n:46][cH:47][cH:48][cH:49]5)[CH2:16][CH2:17]3)[cH:18][cH:19][cH:20]2)[cH:21][cH:22]1