HRID666006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID5429

Theobromine

C7H8N4O2

HCID166653

Hydride

H-

结构：OC(CCl)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID10385154

未命名化合物

PRODUCTS

生成物

结构：Cn1cnc2c1c(=O)n(CC(O)CN1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)c(=O)n2C

HCID70058100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c2cec6e54a74eb5b534718703f8fa34
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

[CH3:42][S:43]([CH3:44])=[O:45].[Cl:16][CH2:17][CH:18]([CH2:19][N:20]1[CH2:21][CH2:22][N:23]([CH:26]([c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[CH2:24][CH2:25]1)[OH:41].[H-:1].[Na+:2].[nH:3]1[c:4](=[O:5])[n:6]([CH3:7])[c:8]2[n:9][cH:10][n:11]([CH3:12])[c:13]2[c:14]1=[O:15]>>[n:3]1([CH2:17][CH:18]([CH2:19][N:20]2[CH2:21][CH2:22][N:23]([CH:26]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH2:24][CH2:25]2)[OH:41])[c:4](=[O:5])[n:6]([CH3:7])[c:8]2[n:9][cH:10][n:11]([CH3:12])[c:13]2[c:14]1=[O:15]