HRID171779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(C)cn(CC#N)c3c2Br)cc1

HCID68501271

benzyl 3-(7-bromo-1-cyanomethyl-3-methyl-1H-indol-6-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

C42H44BrN3O6

PRODUCTS

生成物

HCID68504218

benzyl 3-[1-(2-aminoethyl)-7-bromo-3-methyl-1H-indol-6-ylmethoxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

C42H48BrN3O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc445dd38eaa4d289769ccb842b414ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH2:15][O:16][CH:17]2[CH2:18][N:19]([C:43](=[O:44])[O:45][CH2:46][c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[CH2:20][CH2:21][CH:22]2[c:23]2[cH:24][cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][O:33][CH2:34][c:35]3[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]3)[cH:27][cH:28]2)[cH:4][cH:5][c:6]2[c:7]([CH3:14])[cH:8][n:9]([CH2:11][C:12]#[N:13])[c:10]12.[CH3:53][OH:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[Br:1][c:2]1[c:3]([CH2:15][O:16][CH:17]2[CH2:18][N:19]([C:43](=[O:44])[O:45][CH2:46][c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[CH2:20][CH2:21][CH:22]2[c:23]2[cH:24][cH:25][c:26]([O:29][CH2:30][CH2:31][CH2:32][O:33][CH2:34][c:35]3[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]3)[cH:27][cH:28]2)[cH:4][cH:5][c:6]2[c:7]([CH3:14])[cH:8][n:9]([CH2:11][CH2:12][NH2:13])[c:10]12