Hydrochloric Acid → HCID 178521871, compound

HRID 1121791Notes

Reaction equation

HRID 1121791 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[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.[Cl:65][CH2:66][Cl:67].[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].[NH:46]1[CH2:47][CH2:48][CH:49]([c:52]2[c:53](=[O:58])[nH:54][cH:55][cH:56][cH:57]2)[CH2:50][CH2:51]1.[Na+:59].[Na+:60].[O-:61][C:62](=[O:63])[O-:64]>>[F:9][c:10]1[c:11]([CH:17]2[CH2:18][CH2:19][CH:20]([NH:32][C:34](=[O:35])[N:46]3[CH2:47][CH2:48][CH:49]([c:52]4[c:53](=[O:58])[nH:54][cH:55][cH:56][cH:57]4)[CH2:50][CH2:51]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

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 821294-Nitrophenyl chloroformateHCID 59722661HCID 59722661, compoundHCID 69175829HCID 69175829, compound

Product 1

HCID 178521871HCID 178521871, compound

Sources & evidence

ORD record
ord-7eaaebac712b4b1caf9507cdcd69435d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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