HRID682184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(C)cn(CCN)c3c2Br)cc1

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

PRODUCTS

生成物

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(C)cn(CCNC(C)=O)c3c2Br)cc1

HCID68497500

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

C44H50BrN3O7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a87318ff97654952b39daf8ad506b4a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:59][C:60](=[O:61])[O:62][C:63](=[O:64])[CH3:65].[Cl:66][CH2:67][Cl:68].[NH2:1][CH2:2][CH2:3][n:4]1[cH:5][c:6]([CH3:52])[c:7]2[cH:8][cH:9][c:10]([CH2:14][O:15][CH:16]3[CH2:17][N:18]([C:42](=[O:43])[O:44][CH2:45][c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[CH2:19][CH2:20][CH:21]3[c:22]3[cH:23][cH:24][c:25]([O:28][CH2:29][CH2:30][CH2:31][O:32][CH2:33][c:34]4[c:35]([O:40][CH3:41])[cH:36][cH:37][cH:38][cH:39]4)[cH:26][cH:27]3)[c:11]([Br:13])[c:12]12.[cH:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[NH:1]([CH2:2][CH2:3][n:4]1[cH:5][c:6]([CH3:52])[c:7]2[cH:8][cH:9][c:10]([CH2:14][O:15][CH:16]3[CH2:17][N:18]([C:42](=[O:43])[O:44][CH2:45][c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[CH2:19][CH2:20][CH:21]3[c:22]3[cH:23][cH:24][c:25]([O:28][CH2:29][CH2:30][CH2:31][O:32][CH2:33][c:34]4[c:35]([O:40][CH3:41])[cH:36][cH:37][cH:38][cH:39]4)[cH:26][cH:27]3)[c:11]([Br:13])[c:12]12)[C:60]([CH3:59])=[O:61]