Water → HCID 178481528, compound

HRID 1216749Notes

Reaction equation

HRID 1216749 reaction equation
[CH2:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][c:12]1[c:13]2[cH:31][c:28]([cH:29][cH:30]1)-[c:27]1[cH:26][cH:25][c:24]([F:33])[c:23]([cH:32]1)[CH2:22][CH:21]([C:34](=[O:35])[O:36][CH3:37])[N:20]([CH3:38])[C:19](=[O:39])[CH:18]([CH2:40][CH2:41][CH2:42][NH:43][C:44](=[O:45])[O:46][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[NH:17][C:16](=[O:54])[CH:15]([NH:55][C:56](=[O:57])[O:58][CH2:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH2:14]2.[K:1][C:2]#[N:3].[NH2:67][CH2:68][CH2:69][NH2:70].[OH2:66]>>[CH2:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][c:12]1[c:13]2[cH:31][c:28]([cH:29][cH:30]1)-[c:27]1[cH:26][cH:25][c:24]([F:33])[c:23]([cH:32]1)[CH2:22][CH:21]([C:34](=[O:35])[NH:70][CH2:69][CH2:68][NH2:67])[N:20]([CH3:38])[C:19](=[O:39])[CH:18]([CH2:40][CH2:41][CH2:42][NH:43][C:44](=[O:45])[O:46][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[NH:17][C:16](=[O:54])[CH:15]([NH:55][C:56](=[O:57])[O:58][CH2:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH2:14]2

Participants

5

Reactant 4

HCID 962WaterHCID 3301EthylenediamineHCID 178496915HCID 178496915, compoundHCID 178511842HCID 178511842, compound

Product 1

HCID 178481528HCID 178481528, compound

Sources & evidence

ORD record
ord-4378931b7ad24caa9034fa9ec7f83dfa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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