HRID92838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID425305

STK256619

C13H16NOS+

HCID59331488

未命名化合物

结构：C=CC(=O)C(CC1CCOCC1)n1ncc2c(OC)ccnc21

HCID67352116

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc2c1cnn2C(CC1CCOCC1)C(=O)CCC(=O)c1ccc(C(O)C(C)(C)O)cn1

HCID67352911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e61ab1b587ef40ee9b0311346fa85ce3
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

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