HRID700805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID21087275

未命名化合物

结构：CCc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21865731

未命名化合物

PRODUCTS

生成物

结构：CCc1cccc(CNCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)N2CCC(CS(C)(=O)=O)CC2)c1

HCID21086883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-041a7cd014b04ea487e7a7cf8cfc5994
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

[CH2:65]([Cl:66])[Cl:67].[CH3:22][S:23](=[O:24])(=[O:25])[CH2:26][CH:27]1[CH2:28][CH2:29][N:30]([C:33]([O:35][C:34]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:31][CH2:32]1.[CH3:68][OH:69].[CH3:70][CH2:71][O:72][CH2:73][CH3:74].[CH:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH2:18][CH3:19])([CH3:20])[CH3:21].[Cl:1][C:2]([Cl:3])([O:4][C:5](=[O:6])[O:7][C:8]([Cl:9])([Cl:10])[Cl:11])[Cl:12].[ClH:64].[NH2:40][CH:41]([CH:42]([CH2:43][NH:44][CH2:45][c:46]1[cH:47][c:48]([CH2:52][CH3:53])[cH:49][cH:50][cH:51]1)[OH:54])[CH2:55][c:56]1[cH:57][c:58]([F:63])[cH:59][c:60]([F:62])[cH:61]1>>[CH3:22][S:23](=[O:24])(=[O:25])[CH2:26][CH:27]1[CH2:28][CH2:29][N:30]([C:33](=[O:35])[NH:40][CH:41]([CH:42]([CH2:43][NH:44][CH2:45][c:46]2[cH:47][c:48]([CH2:52][CH3:53])[cH:49][cH:50][cH:51]2)[OH:54])[CH2:55][c:56]2[cH:57][c:58]([F:63])[cH:59][c:60]([F:62])[cH:61]2)[CH2:31][CH2:32]1