HRID676688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID78703

4-(1-Pyrrolidinyl)piperidine

C9H18N2

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=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc(NC(=O)N3CCC(N4CCCC4)CC3)c2)c(F)c1

HCID57677582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e28555de02b4675bd3289715a7d162d
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

[CH3:29][N:30]1[CH2:31][CH2:34][O:33][CH2:32][CH2:35]1.[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[Cl:36][C:37]([O:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)=[O:45].[N:46]1([CH:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)[CH2:47][CH2:48][CH2:49][CH2:50]1.[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:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[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:54]1[CH2:53][CH2:52][CH:51]([N:46]2[CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:56][CH2:55]1