Methanol → HCID 67050780, compound

HRID 105769Notes

Reaction equation

HRID 105769 reaction equation
[CH2:32]([c:33]1[cH:34][c:35]([O:36][CH3:37])[c:38]([O:39][CH3:40])[cH:41][cH:42]1)[NH2:43].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[CH3:59][OH:60].[Cl:61][CH2:62][Cl:63].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[c:10]([cH:28][n:29]1)-[c:11]1[n:12]([cH:16][c:17](-[c:19]3[n:20][c:21]([CH3:27])[n:22][n:23]3[CH:24]([CH3:25])[CH3:26])[n:18]1)[CH2:13][CH2:14][O:15]2)(=[O:30])=[O:31].[OH2:58]>>[c:7]1([NH:43][CH2:32][c:33]2[cH:34][c:35]([O:36][CH3:37])[c:38]([O:39][CH3:40])[cH:41][cH:42]2)[cH:8][c:9]2[c:10]([cH:28][n:29]1)-[c:11]1[n:12]([cH:16][c:17](-[c:19]3[n:20][c:21]([CH3:27])[n:22][n:23]3[CH:24]([CH3:25])[CH3:26])[n:18]1)[CH2:13][CH2:14][O:15]2

Participants

8

Reactant 7

HCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 79832VeratrylamineHCID 58204573trifluoro-methanesulphonic acid 2-(2-isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-yl ester

Product 1

HCID 67050780HCID 67050780, compound

Sources & evidence

ORD record
ord-12241da063c54b13929dd7b830fe65a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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