HRID1571616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID96951

2-Acetamido-4-methylthiazole-5-sulphonyl chloride

C6H7ClN2O3S2

结构：Nc1ccc(CC(=O)Nc2c(N)n(CC3CC3)c(=O)n(Cc3ccccc3F)c2=O)cc1

HCID58762830

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(CC(=O)Nc3c(N)n(CC4CC4)c(=O)n(Cc4ccccc4F)c3=O)cc2)s1

HCID58762848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccc500daf7d84878ad7a2d5c27300420
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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