HRID1236576

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：C#CCCCOc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1

HCID86623922

未命名化合物

PRODUCTS

生成物

结构：C#CCCCOc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnc4)CC3)c2)nc1

HCID24966549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0faf015f35584a0d87cb5de1582a054a
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

[CH2:1]([CH2:2][CH2:3][C:4]#[CH:5])[O:6][c:7]1[cH:8][cH:9][c:10]([O:13][c:14]2[cH:15][c:16]([CH:20]=[C:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[cH:17][cH:18][cH:19]2)[n:11][cH:12]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][S:51]([CH3:52])=[O:53].[OH2:54].[n:27]1[cH:28][c:29]([NH:33][C:34]([O:35][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:36])[cH:30][cH:31][cH:32]1>>[CH2:1]([CH2:2][CH2:3][C:4]#[CH:5])[O:6][c:7]1[cH:8][cH:9][c:10]([O:13][c:14]2[cH:15][c:16]([CH:20]=[C:21]3[CH2:22][CH2:23][N:24]([C:34]([NH:33][c:29]4[cH:28][n:27][cH:32][cH:31][cH:30]4)=[O:35])[CH2:25][CH2:26]3)[cH:17][cH:18][cH:19]2)[n:11][cH:12]1