HRID104848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID82184

1,16-Hexadecanediol

C16H34O2

结构：OC1(Cl)OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178516697

未命名化合物

PRODUCTS

生成物

结构：OCCCCCCCCCCCCCCCCOC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178520593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebcb75c841254ddfbf1591fd09dc85bb
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

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