HRID677325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1

HCID54584060

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(=O)C(C)C)c2)CC1

HCID58728822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a59613bde81b49809e992b90b64818d2
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

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