HRID124881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID3549191

Propane-2-sulfonamide

C3H9NO2S

结构：CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1ccc2c(c1)OCO2

HCID19010493

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)NS(=O)(=O)C(C)C)c1ccc2c(c1)OCO2

HCID19010490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d80f085e55a646a194f45bb6bad74f9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](=[O:2])([OH:3])[CH:4]([O:5][c:6]1[c:7]([CH2:29][CH2:30][CH3:31])[cH:8][c:9]([CH2:15][n:16]2[c:17]([CH2:27][CH3:28])[n:18][c:19]3[c:20]2[n:21][c:22]([CH3:26])[cH:23][c:24]3[CH3:25])[cH:10][c:11]1[CH2:12][CH2:13][CH3:14])[c:32]1[cH:33][c:34]2[c:35]([cH:36][cH:37]1)[O:38][CH2:39][O:40]2.[C:41]([n:42]1[cH:43][cH:44][n:45][cH:46]1)([n:47]1[cH:48][cH:49][n:50][cH:51]1)=[O:52].[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH:53]([CH3:54])([CH3:55])[S:56](=[O:57])(=[O:58])[NH2:59].[N:60]12[CH2:61][CH2:62][CH2:63][N:64]=[C:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]2>>[C:1](=[O:3])([CH:4]([O:5][c:6]1[c:7]([CH2:29][CH2:30][CH3:31])[cH:8][c:9]([CH2:15][n:16]2[c:17]([CH2:27][CH3:28])[n:18][c:19]3[c:20]2[n:21][c:22]([CH3:26])[cH:23][c:24]3[CH3:25])[cH:10][c:11]1[CH2:12][CH2:13][CH3:14])[c:32]1[cH:33][c:34]2[c:35]([cH:36][cH:37]1)[O:38][CH2:39][O:40]2)[NH:59][S:56]([CH:53]([CH3:54])[CH3:55])(=[O:57])=[O:58]