4-Methylmorpholine → HCID 22601443, compound
Reaction equation
[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:65][N:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[Cl:44][c:45]1[c:46]([C:47](=[O:48])[OH:49])[c:50]([Cl:54])[cH:51][n:52][cH:53]1.[NH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][N:19]([S:20](=[O:21])(=[O:22])[c:23]2[c:24]([N+:29](=[O:30])[O-:31])[cH:25][cH:26][cH:27][cH:28]2)[CH:32]2[CH2:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][n:39][c:40]3[CH2:41]2)[cH:42][cH:43]1.[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[NH:12]([CH2:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][N:19]([S:20](=[O:21])(=[O:22])[c:23]2[c:24]([N+:29](=[O:30])[O-:31])[cH:25][cH:26][cH:27][cH:28]2)[CH:32]2[CH2:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][n:39][c:40]3[CH2:41]2)[cH:42][cH:43]1)[C:47]([c:46]1[c:45]([Cl:44])[cH:53][n:52][cH:51][c:50]1[Cl:54])=[O:48]Participants
6
Sources & evidence
- ORD record
- ord-832d5cd2f44c4aeca565f807c09dc65f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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