HRID1225744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

结构：OCCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID22120146

未命名化合物

HCID57900098

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc(I)c(OCCc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID58204676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9739f0757fe4b919ad871aae1c3d61d
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

[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[n:34]1[c:35]([CH2:39][CH2:40][OH:41])[n:36][cH:37][cH:38]1.[O:1]=[C:2]([O:3][CH:4]([CH3:5])[CH3:6])[N:7]=[N:8][C:9]([O:10][CH:11]([CH3:12])[CH3:13])=[O:14].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH2:78].[OH:42][c:43]1[c:44]([I:53])[n:45][cH:46][c:47]([C:48](=[O:49])[O:50][CH3:51])[cH:52]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[n:34]1[c:35]([CH2:39][CH2:40][O:41][c:43]2[c:44]([I:53])[n:45][cH:46][c:47]([C:48](=[O:49])[O:50][CH3:51])[cH:52]2)[n:36][cH:37][cH:38]1