HRID1563610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl acetate

C4H8O2

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC

HCID9874822

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID9874822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b7e19c73ee24dba808c11d8b493997c
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

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