HRID2154399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID11670445

未命名化合物

结构：CC(C)(C)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID15486605

2-(4-tert-Butylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H29BO2

PRODUCTS

生成物

结构：CC(C)(C)C1CC=C(c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)CC1

HCID57835048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a16f618123940948edcda545262065c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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