HRID1118775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1nnn(COCc2ccccc2)n1

HCID11340561

2-[(Phenylmethoxy)methyl]-5-(tributylstannyl)-2H-tetrazole

C21H36N4OSn

结构：CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc(Br)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475940

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc(-c4nnn(COCc5ccccc5)n4)s3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ec6d079efe94f0689ff705181cf1f94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([c:24]2[cH:25][c:26]([CH2:31][c:32]3[s:33][c:34]([Br:37])[cH:35][cH:36]3)[c:27]([Cl:30])[cH:28][cH:29]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH2:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[O:45][CH2:46][n:47]1[n:48][c:49]([Sn:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[n:50][n:51]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([c:24]2[cH:25][c:26]([CH2:31][c:32]3[s:33][c:34](-[c:49]4[n:48][n:47]([CH2:46][O:45][CH2:38][c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[n:51][n:50]4)[cH:35][cH:36]3)[c:27]([Cl:30])[cH:28][cH:29]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]