HRID182282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7046

1,2,3,4-Tetrahydroisoquinoline

C9H11N

结构：CS(=O)(=O)OCCCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2c[nH]c3ccccc23)C1

HCID178505294

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CCCN2CCc3ccccc3C2)CC1Cc1c[nH]c2ccccc12

HCID178519644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17ce911a2ab14fe0af60bfcd0154f28e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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