HRID154064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID4253

未命名化合物

HCID28123

Tetrahydroborate

H4B-

结构：COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5

HCID408120

3,6-Dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan

C19H21NO3

结构：COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c42)C3=CC1=O

HCID625160

未命名化合物

PRODUCTS

生成物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID408120

3,6-Dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan

C19H21NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b656c89f7ef4d6fa75d37cde9611310
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

[BH4-:69].[CH3:1][O:2][C:3]1=[CH:4][CH:5]=[C:6]2[CH:7]3[CH2:8][c:9]4[cH:10][cH:11][c:12]([O:13][CH3:14])[c:15]5[c:23]4[C:18]2([CH:17]1[O:16]5)[CH2:19][CH2:20][N:21]3[CH3:22].[CH3:45][O:46][C:47]1=[CH:68][C:52]23[C:51](=[CH:50][C:48]1=[O:49])[CH:63]([CH2:62][c:54]1[c:53]2[c:58]([OH:59])[c:57]([O:60][CH3:61])[cH:56][cH:55]1)[N:64]([CH3:65])[CH2:66][CH2:67]3.[CH3:71][OH:72].[CH:24]12[C:25]34[c:26]5[c:27]([cH:35][cH:36][c:37]([OH:38])[c:39]5[O:40][CH:41]3[CH:42]([OH:28])[CH:43]=[CH:44]1)[CH2:29][CH:30]2[N:31]([CH3:34])[CH2:32][CH2:33]4.[Na+:70]>>[CH3:1][O:2][C:3]1=[CH:4][CH:5]=[C:6]2[CH:7]3[CH2:8][c:9]4[cH:10][cH:11][c:12]([O:13][CH3:14])[c:15]5[c:23]4[C:18]2([CH:17]1[O:16]5)[CH2:19][CH2:20][N:21]3[CH3:22].[Na+:70].[OH-:28]