HRID307370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3759408

2-Methoxymethylphenylboronic acid

C8H11BO3

结构：COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2ccc(Br)n2n1

HCID66711255

未命名化合物

PRODUCTS

生成物

结构：COCc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)nn12

HCID66712215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c4ea5c6ede44b31ab830d66a78998cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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