HRID299245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID95834

Morpholine, 4-(3-chloropropyl)-

C7H14ClNO

结构：CC(C)c1cc(C(=O)N2Cc3ccc(O)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID66672264

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(=O)N2Cc3ccc(OCCCN4CCOCC4)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID59263160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b924f03e66345c2a43776c70f948b39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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