HRID2310789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61668

Boronic acid

H3BO2

HCID16217704

[3-(Benzyloxy)-2,6-difluorophenyl]boronic acid

C13H11BF2O3

HCID59244708

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(OCc2ccccc2)c(F)c1-c1nc(N2CCOCC2)nc2c1CCN2c1ccncc1

HCID24890274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cf1806ea45240b3b139bb21b8a7c720
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

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