HRID88971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID985

Hexadecanoic acid

C16H32O2

结构：COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5

HCID2476

17-(Cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

C29H41NO4

PRODUCTS

生成物

HCID2476

17-(Cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

C29H41NO4

HCID504166

Hexadecanoic acid, ion(1-)

C16H31O2-

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c46780baba3d436d8e357283114f14c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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