HRID138628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21868443

Ethyl N-{2-[(1,3-benzothiazole-2-sulfonyl)amino]ethyl}glycinate

C13H17N3O4S2

结构：O=C(O)Cn1cnc2c(=O)[nH]c(NC(=O)OC(c3ccccc3)c3ccccc3)nc21

HCID135616176

(2-{[(Diphenylmethoxy)carbonyl]amino}-6-oxo-3,6-dihydro-9H-purin-9-yl)acetic acid

C21H17N5O5

PRODUCTS

生成物

结构：CCOC(=O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1cnc2c(=O)[nH]c(NC(=O)OC(c3ccccc3)c3ccccc3)nc21

HCID136364013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37ed7702b61d401da64e1ebb44fc4b3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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