HRID109102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1c(C)cnc(Cn2nc(CCO)c3c(Cl)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc32)c1C

HCID59311523

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)cnc(Cn2nc(CCOS(=O)(=O)c3ccc(C)cc3)c3c(Cl)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc32)c1C

HCID59311466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04385e2accc74a84923549f7b710d8cb
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

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[c:34]1[n:35][c:36]([Cl:57])[c:37]2[c:38]([n:39]1)[n:40]([CH2:46][c:47]1[n:48][cH:49][c:50]([CH3:56])[c:51]([O:54][CH3:55])[c:52]1[CH3:53])[n:41][c:42]2[CH2:43][CH2:44][OH:45].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:58][N:59]([CH3:60])[c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1.[Cl:67][CH2:68][Cl:69].[c:8]1([CH3:18])[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[Cl:17])[cH:12][cH:13]1>>[c:8]1([CH3:18])[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[O:45][CH2:44][CH2:43][c:42]2[c:37]3[c:36]([Cl:57])[n:35][c:34]([N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[n:39][c:38]3[n:40]([CH2:46][c:47]3[n:48][cH:49][c:50]([CH3:56])[c:51]([O:54][CH3:55])[c:52]3[CH3:53])[n:41]2)[cH:12][cH:13]1