Ammonia → HCID 178462787, compound

HRID 165372Notes

Reaction equation

HRID 165372 reaction equation
[CH2:26]([CH3:27])[N:28]1[CH2:29][CH2:30][N:31]([S:34](=[O:35])(=[O:36])[c:37]2[cH:38][cH:39][c:40](-[c:41]3[cH:42][c:43]4[n:44][c:45]([CH2:46][CH2:47][CH:48]5[NH:49][C:50](=[S:51])[CH2:52][CH2:53][CH2:54][CH2:55]5)[nH:56][c:57]4[n:58][cH:59]3)[cH:60][cH:61]2)[CH2:32][CH2:33]1.[CH3:63][OH:64].[NH3:62].[c:1]1(-[c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12]2)[nH:13][c:14]([CH2:16][CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][C:23]([NH2:25])=[N:24]2)[n:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12]2)[nH:13][c:14]([CH2:16][CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][C:23]([NH2:25])=[N:24]2)[n:15]3)[cH:2][cH:3][c:4]([S:34]([N:31]2[CH2:30][CH2:29][N:28]([CH2:26][CH3:27])[CH2:33][CH2:32]2)(=[O:35])=[O:36])[cH:5][cH:6]1

Participants

5

Reactant 4

HCID 222AmmoniaHCID 887MethanolHCID 178462789HCID 178462789, compoundHCID 178508386HCID 178508386, compound

Product 1

HCID 178462787HCID 178462787, compound

Sources & evidence

ORD record
ord-f88a2683aa30439fb2d21ba7aa3c46e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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