HRID176631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

HCID84468

Trifluoroacetate

C2F3O2-

HCID19907192

未命名化合物

结构：COc1ccc(S(=O)(=O)N2C(=O)C(O)(c3cc(C)ccc3OC)c3cc(Cl)cnc32)c(OC(F)(F)F)c1

HCID67429499

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(C)ccc3OC)(N3CC(O)CC3C(=O)N(C)C)c3cc(Cl)cnc32)c(OC(F)(F)F)c1

HCID178492851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8de1c7023d24a9fa3c325e1eb66da6a
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

[CH3:38][S:39]([O:40][S:41]([CH3:42])(=[O:43])=[O:44])(=[O:45])=[O:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]([S:22](=[O:23])(=[O:24])[c:25]1[c:26]([O:33][C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[C:9](=[O:21])[C:10]2([c:11]1[c:12]([O:18][CH3:19])[cH:13][cH:14][c:15]([CH3:17])[cH:16]1)[OH:20].[Cl:72][CH:73]([Cl:74])[Cl:75].[O-:65][C:66]([C:67]([F:68])([F:69])[F:70])=[O:71].[OH2:76].[OH:54][CH:55]1[CH2:56][CH:57]([C:60](=[O:61])[N:62]([CH3:63])[CH3:64])[NH:58][CH2:59]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]([S:22](=[O:23])(=[O:24])[c:25]1[c:26]([O:33][C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[C:9](=[O:21])[C:10]2([c:11]1[c:12]([O:18][CH3:19])[cH:13][cH:14][c:15]([CH3:17])[cH:16]1)[N:58]1[CH:57]([C:60](=[O:61])[N:62]([CH3:63])[CH3:64])[CH2:56][CH:55]([OH:54])[CH2:59]1