2-[6-(aminocarbonyl)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl methanesulfonate → HCID 178429847, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][c:9]2[cH:10][cH:11][c:12]([N:19]3[CH2:20][CH:21]([CH3:25])[NH:22][CH2:23][CH2:24]3)[c:13]3[cH:14][cH:15][cH:16][c:17]1[c:18]23)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:38][S:39]([O:40][CH2:43][CH2:44][CH:45]1[O:46][CH2:47][CH2:48][c:49]2[c:50]1[cH:51][cH:52][c:53]([C:55](=[O:56])[NH2:57])[cH:54]2)(=[O:41])=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][c:9]2[cH:10][cH:11][c:12]([N:19]3[CH2:20][CH:21]([CH3:25])[N:22]([CH2:43][CH2:44][CH:45]4[O:46][CH2:47][CH2:48][c:49]5[c:50]4[cH:51][cH:52][c:53]([C:55](=[O:56])[NH2:57])[cH:54]5)[CH2:23][CH2:24]3)[c:13]3[cH:14][cH:15][cH:16][c:17]1[c:18]23)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1Participants
3
Sources & evidence
- ORD record
- ord-5488359027e944c281ed41ab0c6830a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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