HRID1130418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)CC1

HCID86593832

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cc(N2CCNCC2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1

HCID11755670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1e945d8199c48e284c560911acfa7f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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