HRID692250

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(=C1CCNCC1)c1cccc(Oc2ccc(N3CCC3)cn2)c1

HCID66876380

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ccc(N4CCC4)cn3)c2)CC1

HCID24966550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67ae49c77d6f4c69b15db05b9439f740
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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].[N:1]1([c:5]2[cH:6][cH:7][c:8]([O:11][c:12]3[cH:13][c:14]([CH:18]=[C:19]4[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]4)[cH:15][cH:16][cH:17]3)[n:9][cH:10]2)[CH2:2][CH2:3][CH2:4]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>>[N:1]1([c:5]2[cH:6][cH:7][c:8]([O:11][c:12]3[cH:13][c:14]([CH:18]=[C:19]4[CH2:20][CH2:21][N:22]([C:32]([NH:31][c:27]5[cH:26][n:25][cH:30][cH:29][cH:28]5)=[O:33])[CH2:23][CH2:24]4)[cH:15][cH:16][cH:17]3)[n:9][cH:10]2)[CH2:2][CH2:3][CH2:4]1