HRID91641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID33721

4-Piperidone

C5H9NO

结构：Nc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2F)ccn1

HCID57677412

未命名化合物

PRODUCTS

生成物

结构：O=C1CCN(C(=O)Nc2cc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccn2)CC1

HCID57677483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-389cb70a59864019bd4364d9a78858a9
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

[CH3:29][N:30]1[CH2:31][CH2:34][O:33][CH2:32][CH2:35]1.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:36][C:37]([O:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)=[O:45].[ClH:47].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[c:10]([F:28])[cH:11][c:12]([NH:15][C:16](=[S:17])[NH:18][C:19]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:27])[cH:13][cH:14]2)[cH:7]1.[O:48]=[C:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:46]>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[c:10]([F:28])[cH:11][c:12]([NH:15][C:16](=[S:17])[NH:18][C:19]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:27])[cH:13][cH:14]2)[cH:7]1)[C:32](=[O:33])[N:52]1[CH2:51][CH2:50][C:49](=[O:48])[CH2:54][CH2:53]1