HRID1145028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：O=C(c1csc(-c2ccccc2)n1)N1CCOC2(CCNCC2)C1

HCID57989130

未命名化合物

结构：CC(C)(C)OC(=O)N(Cc1ccc(OCCOS(C)(=O)=O)cc1)CC(O)c1ccc(O)c2[nH]c(=O)sc12

HCID76698050

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(Cc1ccc(OCCN2CCC3(CC2)CN(C(=O)c2csc(-c4ccccc4)n2)CCO3)cc1)CC(O)c1ccc(O)c2[nH]c(=O)sc12

HCID67291863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-074d3075eb15467485f0acfac0173698
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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