Ammonium → [1-(2-chloro-5-oxo-6,7-dihydro-5H-5lambda4-thieno[3,2-d]pyrimidin-4-ylamino)-cyclopropyl]-methanol
Reaction equation
[C:18]([CH3:20])([CH3:21])([O:22][OH:19])[CH3:23].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH3:43][CH:44]([CH3:45])[O-:46].[CH3:48][CH:49]([CH3:50])[O-:51].[CH3:52][CH:53]([CH3:54])[O-:55].[CH3:56][CH:57]([CH3:58])[O-:59].[CH3:60][OH:61].[CH:26]([Cl:27])([Cl:28])[Cl:29].[Cl:2][c:3]1[n:4][c:5]([NH:12][C:13]2([CH2:16][OH:17])[CH2:14][CH2:15]2)[c:6]2[c:7]([n:8]1)[CH2:9][CH2:10][S:11]2.[Cl:30][CH2:31][Cl:32].[NH4+:25].[OH-:24].[OH2:1].[Ti+4:47]>>[Cl:2][c:3]1[n:4][c:5]([NH:12][C:13]2([CH2:16][OH:17])[CH2:14][CH2:15]2)[c:6]2[c:7]([n:8]1)[CH2:9][CH2:10][S:11]2=[O:22]Participants
12
Reactant 11
HCID 223Ammonium
HCID 887Methanol
HCID 961Hydroxide
HCID 962Water
HCID 6212Chloroform
HCID 6344Dichloromethane
HCID 6410tert-Butyl hydroperoxide
HCID 15600Decane
HCID 114942Titanium cation (4+)
HCID 3260420Isopropanolate4×
HCID 59708441[1-(2-Chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-cyclopropyl]-methanolProduct 1
Sources & evidence
- ORD record
- ord-4031e897ed1449bc9d2d0eaeaf7da123
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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