HRID1548423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID31297

Methanesulfonyl chloride

CH3ClO2S

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CC4CCN(C(=O)OC(C)(C)C)CC4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID60155885

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CC4CCN(S(C)(=O)=O)CC4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID60155985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dc095b6ce4bb455bb7149d5b1be0de1d
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

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