HRID2343871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C

HCID3697076

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene

C14H23BO4

HCID16094696

5-(Benzyloxy)-2-bromopyridine

C12H10BrNO

反应SMILES：O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CNC1

HCID68003594

未命名化合物

HCID68003660

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ccc(O)cn3)CC2)C1

HCID54772204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-42fed26bfe26404d9434e658ba5b68d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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