HRID1228357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1531

1,3-Propanediol, 2-amino-2-methyl-

C4H11NO2

HCID3283

Diethyl Ether

C4H10O

HCID6395

Methanesulfonic acid

CH4O3S

结构：CC(CO)(CO)NCc1cc2c3ccccc3ccc2c2ccccc12

HCID57062

Crisnatol

C23H23NO2

HCID15599326

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

结构：CC(CO)(CO)NCc1ccc2ccc3c4ccccc4ccc3c2c1

HCID150406

1,3-Propanediol, 2-((3-chrysenylmethyl)amino)-2-methyl-

C23H23NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbb07629079f4c729afd2cb2930755ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:59][CH2:60][OH:61].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[NH2:52][C:53]([CH2:54][OH:55])([CH2:56][OH:57])[CH3:58].[cH:32]1[cH:33][c:34]([CH:50]=[O:51])[cH:35][c:36]2[c:37]3[cH:38][cH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]4[c:46]3[cH:47][cH:48][c:49]12.[cH:6]1[c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:12][c:13]([CH2:14][NH:15][C:16]([CH3:17])([CH2:18][OH:19])[CH2:20][OH:21])[c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[c:28]2[cH:29][cH:30][cH:31]1>>[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[cH:32]1[cH:33][c:34]([CH2:50][NH:52][C:53]([CH2:54][OH:55])([CH2:56][OH:57])[CH3:58])[cH:35][c:36]2[c:37]3[cH:38][cH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]4[c:46]3[cH:47][cH:48][c:49]12