HRID149978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID10562576

TERT-BUTYL 7-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

C14H19NO3

HCID11310048

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2ccc(OCC3CCN(c4ccncc4)CC3)cc2C1

HCID11281679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfe99d45dcac4f4e9a30d1edc69675fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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