HRID214385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1

HCID81042

2,4,6-Triisopropylbenzenesulfonyl chloride

C15H23ClO2S

结构：Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(CCN)cc3)cc21

HCID86587774

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCc2ccc(Oc3ccc4nc(COc5ccc(CC6SC(=O)NC6=O)cc5)n(C)c4c3)cc2)c(C(C)C)c1

HCID18537723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ff1e8ce70ef4183b882ceab363ead7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:46]([CH3:47])([CH3:48])[c:49]1[c:50]([S:61](=[O:62])(=[O:63])[Cl:64])[c:51]([CH:58]([CH3:59])[CH3:60])[cH:52][c:53]([CH:55]([CH3:56])[CH3:57])[cH:54]1.[ClH:1].[ClH:2].[NH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][c:11]2[cH:12][cH:13][c:14]3[c:15]([n:16]([CH3:35])[c:17]([CH2:19][O:20][c:21]4[cH:22][cH:23][c:24]([CH2:25][CH:26]5[C:27](=[O:32])[NH:28][C:29](=[O:31])[S:30]5)[cH:33][cH:34]4)[n:18]3)[cH:36]2)[cH:37][cH:38]1>>[ClH:64].[NH:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][c:11]2[cH:12][cH:13][c:14]3[c:15]([n:16]([CH3:35])[c:17]([CH2:19][O:20][c:21]4[cH:22][cH:23][c:24]([CH2:25][CH:26]5[C:27](=[O:32])[NH:28][C:29](=[O:31])[S:30]5)[cH:33][cH:34]4)[n:18]3)[cH:36]2)[cH:37][cH:38]1)[S:61]([c:50]1[c:49]([CH:46]([CH3:47])[CH3:48])[cH:54][c:53]([CH:55]([CH3:56])[CH3:57])[cH:52][c:51]1[CH:58]([CH3:59])[CH3:60])(=[O:62])=[O:63]