HRID1564329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

结构：CCc1c(OC(=O)OC)cc(OC(=O)OC)c(-c2cccc(O)c2)c1CCOCCOC

HCID23147180

未命名化合物

结构：COCCOCCc1c(C(C)=O)c(O)cc(O)c1-c1cccc(O)c1

HCID23147617

未命名化合物

PRODUCTS

生成物

结构：CCc1c(O)cc(O)c(-c2cccc(O)c2)c1CCOCCOC

HCID23146899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0bace9b6f9149249d9df04ddb53b8c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BH4-:70].[C:26]([Cl:27])(=[O:28])[O:29][CH3:30].[CH2:38]([c:39]1[c:40]([O:41][C:42]([O:43][CH3:44])=[O:45])[cH:46][c:47]([O:48][C:49]([O:50][CH3:51])=[O:52])[c:53](-[c:54]2[cH:55][cH:56][cH:57][c:58]([OH:59])[cH:60]2)[c:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66][O:67][CH3:68])[CH3:69].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:73][OH:74].[NH3:72].[Na+:71].[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1.[OH2:80].[OH:1][c:2]1[c:3]([C:23]([CH3:24])=[O:25])[c:4]([CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH3:22])[c:5](-[c:9]2[cH:10][c:11]([OH:15])[cH:12][cH:13][cH:14]2)[c:6]([OH:8])[cH:7]1>>[OH:1][c:2]1[c:3]([CH2:23][CH3:24])[c:4]([CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH3:22])[c:5](-[c:9]2[cH:10][c:11]([OH:15])[cH:12][cH:13][cH:14]2)[c:6]([OH:8])[cH:7]1