Ammonia → HCID 59548416, compound

HRID 1136038Notes

Reaction equation

HRID 1136038 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[CH:57]([O:58][Ti:59]([O:60][CH:61]([CH3:62])[CH3:63])([O:64][CH:65]([CH3:66])[CH3:67])[O:68][CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:74][CH2:75][Cl:76].[NH2:11][c:12]1[cH:13][c:14](-[c:19]2[c:20]([NH:28][c:29]3[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[n:21][cH:22][c:23]([C:25]([CH3:26])=[O:27])[n:24]2)[n:15][c:16]([CH3:18])[n:17]1.[NH3:51].[Na+:50].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([CH:25]([c:23]2[cH:22][n:21][c:20]([NH:28][c:29]3[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[c:19](-[c:14]3[cH:13][c:12]([NH2:11])[n:17][c:16]([CH3:18])[n:15]3)[n:24]2)[CH3:26])[CH2:9][CH2:10]1

Participants

9

Reactant 8

HCID 222AmmoniaHCID 923Sodium ionHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 7091611-(Methylsulfonyl)piperazineHCID 2724942TriacetoxyborohydrideHCID 59548354HCID 59548354, compoundHCID 178460666HCID 178460666, compound

Product 1

HCID 59548416HCID 59548416, compound

Sources & evidence

ORD record
ord-e5a56f3f975a4e2cb40369c9cc59110e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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