Chloride → HCID 68497953, compound

HRID 700227Notes

Reaction equation

HRID 700227 reaction equation
[CH2:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[CH3:26].[CH3:3][O:4][c:5]1[n:6][c:7]([O:8][CH3:9])[n:10][c:11]([N+:12]2([CH3:13])[CH2:14][CH2:15][O:16][CH2:17][CH2:18]2)[n:19]1.[Cl-:2].[F:27][c:28]1[c:29]([NH:51][C:52](=[O:53])[C:54]2([C:57](=[O:58])[OH:59])[CH2:55][CH2:56]2)[cH:30][c:31]([F:50])[c:32]([O:34][c:35]2[cH:36][c:37]([NH:41][C:42](=[O:43])[N:44]3[CH2:45][CH:46]([OH:49])[CH2:47][CH2:48]3)[n:38][cH:39][cH:40]2)[cH:33]1.[NH2:60][c:61]1[cH:62][cH:63][c:64]([F:65])[cH:66][cH:67]1.[Na+:68].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH2:1].[OH:69][C:70](=[O:71])[O-:72]>>[F:27][c:28]1[c:29]([NH:51][C:52](=[O:53])[C:54]2([C:57](=[O:58])[NH:60][c:61]3[cH:62][cH:63][c:64]([F:65])[cH:66][cH:67]3)[CH2:55][CH2:56]2)[cH:30][c:31]([F:50])[c:32]([O:34][c:35]2[cH:36][c:37]([NH:41][C:42](=[O:43])[N:44]3[CH2:45][CH:46]([OH:49])[CH2:47][CH2:48]3)[n:38][cH:39][cH:40]2)[cH:33]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 97314-FluoroanilineHCID 27340604-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-iumHCID 916064251-[[2,5-Difluoro-4-[[2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid

Product 1

HCID 68497953HCID 68497953, compound

Sources & evidence

ORD record
ord-adda2bc6f4d3408c95d951c87126bc1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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