HRID87735

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

HCID37153

1,10-Decanediol

C10H22O2

结构：CC1OC(O)(Cl)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178434949

未命名化合物

PRODUCTS

生成物

结构：CC1OC(OCCCCCCCCCCO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID178434933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53cf158f65df443b8a0f5350e938a2ca
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:58](#[N:59])[CH3:60].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][OH:11])[OH:12].[CH3:61][CH2:62][OH:63].[Cl:13][C:14]1([OH:15])[CH:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH:25]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH:34]([O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH:43]([CH3:45])[O:44]1.[S:46](=[O:47])(=[O:48])([OH:49])[OH:50].[c:51]1([CH3:52])[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][OH:11])[O:12][CH:14]1[CH:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH:25]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH:34]([O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH:43]([CH3:45])[O:44]1