HRID145493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID12999506

2-Methyl-1,2,3,4-tetrahydroisoquinolin-7-amine

C10H14N2

结构：O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)C(F)(F)F

HCID59513717

未命名化合物

PRODUCTS

生成物

结构：CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)C(F)(F)F)c5)nn5ccccc45)n3)cc2C1

HCID59513726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e4181c3370e45fe9d213c88d7451fb0
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

[CH3:30][N:31]1[CH2:32][c:33]2[cH:34][c:35]([NH2:41])[cH:36][cH:37][c:38]2[CH2:39][CH2:40]1.[CH3:43][CH:44]([OH:45])[CH3:46].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([NH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29])[cH:20][cH:21][cH:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[ClH:42]>>[c:2]1([NH:41][c:35]2[cH:34][c:33]3[c:38]([cH:37][cH:36]2)[CH2:39][CH2:40][N:31]([CH3:30])[CH2:32]3)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([NH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29])[cH:20][cH:21][cH:22]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1