Ammonia → HCID 53839542, compound

HRID 663030Notes

Reaction equation

HRID 663030 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][S:41](=[O:42])(=[O:43])[Cl:44].[CH3:45][S:46]([OH:47])(=[O:48])=[O:49].[CH3:51][OH:52].[NH3:50].[n:1]1[n:2][cH:3][n:4](-[c:6]2[cH:7][c:8]3[c:9]([CH2:15][CH2:16][CH2:17][N:18]4[CH2:19][CH2:20][N:21]([CH:24]([CH2:25][OH:26])[c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[CH2:22][CH2:23]4)[cH:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:5]1>>[n:1]1[n:2][cH:3][n:4](-[c:6]2[cH:7][c:8]3[c:9]([CH2:15][CH2:16][CH2:17][N:18]4[CH2:19][CH2:20][N:21]([CH:24]([CH2:25][NH2:35])[c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[CH2:22][CH2:23]4)[cH:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:5]1

Participants

8

Reactant 7

HCID 222AmmoniaHCID 887MethanolHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 10788768HCID 10788768, compound

Product 1

HCID 53839542HCID 53839542, compound

Sources & evidence

ORD record
ord-81c7faadb8a54d8489b69b1c71b217a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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