HRID2134721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID6935890

phenyl pyridin-3-ylcarbamate

C12H10N2O2

结构：CC(C)Oc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1

HCID66876070

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnc4)CC3)c2)nc1

HCID24964788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-384ce90e6d014f859d72ddfc21a0c0b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][S:49]([CH3:50])=[O:51].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][c:14]([CH:18]=[C:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:15][cH:16][cH:17]2)[n:9][cH:10]1.[OH2:52].[n:25]1[cH:26][c:27]([NH:31][C:32]([O:33][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:34])[cH:28][cH:29][cH:30]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][c:14]([CH:18]=[C:19]3[CH2:20][CH2:21][N:22]([C:32]([NH:31][c:27]4[cH:26][n:25][cH:30][cH:29][cH:28]4)=[O:33])[CH2:23][CH2:24]3)[cH:15][cH:16][cH:17]2)[n:9][cH:10]1