HRID1542335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)(C)OC(=O)N1Cc2cc(N)ccc2C(C)(C)C1

HCID21959561

tert-Butyl 7-amino-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

C16H24N2O2

HCID62989484

Benzoic acid, 2-[[(2-methoxy-4-pyridinyl)methyl]amino]-

C14H14N2O3

PRODUCTS

生成物

结构：COc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3(C)C)ccn1

HCID69510784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4da083a362d4a378fff4d0026276a73
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

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