HRID137972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID2778695

3-Chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl chloride

C8H8Cl2O3S2

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCN)CC2)c1

HCID16755868

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCNC(=O)c3scc(S(=O)(=O)C(C)C)c3Cl)CC2)c1

HCID22049587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5b41889219d4aacbae0b2df5a57dbbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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