Hydrochloric Acid → HCID 178521867, compound

HRID 1129365Notes

Reaction equation

HRID 1129365 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH:68]([Cl:69])([Cl:70])[Cl:71].[Cl:33][C:34](=[O:35])[O:36][c:37]1[cH:38][cH:39][c:40]([N+:41]([O-:42])=[O:43])[cH:44][cH:45]1.[ClH:8].[F:9][c:10]1[c:11]([CH:17]2[CH2:18][CH2:19][CH:20]([NH2:32])[c:21]3[n:22]([c:24]([CH2:27][C:28]([F:29])([F:30])[F:31])[cH:25][n:26]3)[CH2:23]2)[cH:12][cH:13][cH:14][c:15]1[F:16].[N:46]1=[CH:47][NH:48][C:49](=[O:56])[C:50]12[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]2.[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1>>[F:9][c:10]1[c:11]([CH:17]2[CH2:18][CH2:19][CH:20]([NH:32][C:34](=[O:35])[N:53]3[CH2:52][CH2:51][C:50]4([N:46]=[CH:47][NH:48][C:49]4=[O:56])[CH2:55][CH2:54]3)[c:21]3[n:22]([c:24]([CH2:27][C:28]([F:29])([F:30])[F:31])[cH:25][n:26]3)[CH2:23]2)[cH:12][cH:13][cH:14][c:15]1[F:16]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6212ChloroformHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 19660Carbonate IonHCID 821294-Nitrophenyl chloroformateHCID 22975579HCID 22975579, compoundHCID 69175829HCID 69175829, compound

Product 1

HCID 178521867HCID 178521867, compound

Sources & evidence

ORD record
ord-05d4312282914e10ae4bfecaa552481b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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