HRID1542569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID313

Hydrochloric Acid

ClH

2 次

HCID24648

Sulfuryl chloride

Cl2O2S

结构：COC(=O)C(Cc1ccc(Oc2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

HCID76761558

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Oc2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1S(C)(=O)=O)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

HCID178499942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5db5e034edbb4141bbf061508dddf04f
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

[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([O:14][c:15]2[c:16]([CH3:22])[c:17]([CH3:21])[n:18][cH:19][cH:20]2)[cH:12][cH:13]1)[NH:23][C:24](=[O:25])[CH:26]1[NH:27][CH2:28][c:29]2[cH:30][c:31]3[c:32]([cH:33][c:34]2[CH2:35]1)[O:36][CH2:37][CH:38]([c:40]1[cH:41][cH:42][c:43]([O:46][CH2:47][c:48]2[cH:49][c:50]([Cl:55])[c:51]([Cl:54])[cH:52][cH:53]2)[cH:44][cH:45]1)[O:39]3)=[O:56].[CH4:62].[ClH:1].[ClH:2].[S:57](=[O:58])(=[O:59])([Cl:60])[Cl:61]>>[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([O:14][c:15]2[c:16]([CH3:22])[c:17]([CH3:21])[n:18][cH:19][cH:20]2)[cH:12][cH:13]1)[NH:23][C:24](=[O:25])[CH:26]1[N:27]([S:57](=[O:58])(=[O:59])[CH3:62])[CH2:28][c:29]2[cH:30][c:31]3[c:32]([cH:33][c:34]2[CH2:35]1)[O:36][CH2:37][CH:38]([c:40]1[cH:41][cH:42][c:43]([O:46][CH2:47][c:48]2[cH:49][c:50]([Cl:55])[c:51]([Cl:54])[cH:52][cH:53]2)[cH:44][cH:45]1)[O:39]3)=[O:56]